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

Systemtic Name: methyl 4-[(2-azanyl-6-methyl-4-oxidanylidene-1H-quinazolin-5-yl)sulfanyl]benzoate Openeye Name: methyl 4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoate CAS Name: 4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-amino-6-methyl-4-oxo-1H-quinazolin-5-yl)sulfanyl]benzoate Traditional Name: 4-[(2-amino-4-keto-6-methyl-1H-quinazolin-5-yl)thio]benzoic acid methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O3S/c1-9-3-8-12-13(15(21)20-17(18)19-12)14(9)24-11-6-4-10(5-7-11)16(22)23-2/h3-8H,1-2H3,(H3,18,19,20,21)