4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]benzoic acid

Systemtic Name: 4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]benzoic acid Openeye Name: 4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoic acid CAS Name: 4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)thio]benzoic acid IUPAC Name: 4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoic acid Traditional Name: 4-[(2-amino-4-keto-6-methyl-1H-quinazolin-5-yl)thio]benzoic acid Formula: C16H13N3O3S MolecularWeight: 327.35772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=C(C2=C(C=C1)NC(=NC2=O)N)SC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C16H13N3O3S/c1-8-2-7-11-12(14(20)19-16(17)18-11)13(8)23-10-5-3-9(4-6-10)15(21)22/h2-7H,1H3,(H,21,22)(H3,17,18,19,20)