Structure Information
Structure

Compound Identification

SMILES

CCNC1=CC2=C(C=C1)C(=C1C=CC(C=C1O2)=NCC)C1=C(C=C(C=C1)C(=O)NCC1=CC(C(C)OC(=O)NCC#CC2=CN([C@H]3C[C@H](OCOC)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O3)C(=O)N=C2N)=C(C=C1)[N+]([O-])=O)C(O)=O

InChIKey

InChIKey=QKZTYSZNQLXGEY-ZFAPLZSOSA-N

Formula

C49H53N8O22P3

Mass

1198.918

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Nucleosides, nucleotides, and analogues

Class

Pyrimidine nucleotides

Subclass

Pyrimidine deoxyribonucleotides

Intermediate Tree Nodes

Pyrimidine deoxyribonucleoside triphosphates

Direct Parent

Pyrimidine 2'-deoxyribonucleoside triphosphates

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrimidine 2'-deoxyribonucleoside triphosphate - N-benzylbenzamide - Dibenzopyran - Xanthene - Benzyloxycarbonyl - 1-benzopyran - Benzopyran - Benzamide - Benzoic acid or derivatives - Benzoic acid - Nitrobenzene - Benzoyl - Nitroaromatic compound - Pyrimidone - Secondary aliphatic/aromatic amine - Aminopyrimidine - Monoalkyl phosphate - Phosphoric acid ester - Organic phosphoric acid derivative - Primary aromatic amine - Pyrimidine - Monocyclic benzene moiety - Imidolactam - Alkyl phosphate - Hydropyrimidine - Benzenoid - Secondary ketimine - Carbamic acid ester - Oxolane - Heteroaromatic compound - Secondary carboxylic acid amide - Organic nitro compound - Amino acid or derivatives - Carboxamide group - Amino acid - C-nitro compound - Acetal - Oxacycle - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Secondary amine - Organic oxoazanium - Carbonyl group - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic zwitterion - Organic oxygen compound - Organic salt - Primary amine - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidine 2'-deoxyribonucleoside triphosphates. These are pyrimidine nucleotides with a triphosphate group linked to the ribose moiety lacking a hydroxyl group at position 2.

External Descriptors

Not available

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