methyl 2-methylsulfanyl-4-[(phenylmethyl)amino]quinazoline-7-carboxylate

Systemtic Name: methyl 2-methylsulfanyl-4-[(phenylmethyl)amino]quinazoline-7-carboxylate Openeye Name: methyl 4-(benzylamino)-2-methylsulfanyl-quinazoline-7-carboxylate CAS Name: 2-(methylthio)-4-[(phenylmethyl)amino]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-(benzylamino)-2-methylsulfanylquinazoline-7-carboxylate Traditional Name: 4-(benzylamino)-2-(methylthio)quinazoline-7-carboxylic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)SC)NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=NC(=N2)SC)NCC3=CC=CC=C3

InChI

InChI=1S/C18H17N3O2S/c1-23-17(22)13-8-9-14-15(10-13)20-18(24-2)21-16(14)19-11-12-6-4-3-5-7-12/h3-10H,11H2,1-2H3,(H,19,20,21)