Compound Identification
SMILES
CC1(C)CCC2=C(C(N3NC=CC3=N2)C2=CSC(=C2)[N+]([O-])=O)C1=O
InChIKey
InChIKey=OQLPIAKYFRGBPX-UHFFFAOYSA-N
Formula
C16H16N4O3S
Mass
344.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Pyrazolopyrimidines 2-nitrothiophenes Nitroaromatic compounds Cyclohexenones Imidolactams Hydropyrimidines Pyrazoles Heteroaromatic compounds Pyrazolines Amidrazones Organic oxoazanium compounds Azacyclic compounds Amidines Propargyl-type 1,3-dipolar organic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - 2-nitrothiophene - Nitrothiophene - Pyrazolopyrimidine - Nitroaromatic compound - Cyclohexenone - Hydropyrimidine - 1,6-dihydropyrimidine - Pyrimidine - Imidolactam - Thiophene - Heteroaromatic compound - Pyrazoline - Pyrazole - Ketone - Carboxylic acid amidrazone - C-nitro compound - Organic nitro compound - Amidine - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic salt - Carbonyl group - Organic oxygen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors
Not available