methyl 4-[(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(3-azanyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(3-amino-4-oxo-quinazolin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(3-amino-4-oxo-2-quinazolinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(3-amino-4-oxoquinazolin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(3-amino-4-keto-quinazolin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2N

InChI

InChI=1S/C17H15N3O3S/c1-23-16(22)12-8-6-11(7-9-12)10-24-17-19-14-5-3-2-4-13(14)15(21)20(17)18/h2-9H,10,18H2,1H3