methyl 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[methyl-[4-(methylthio)benzyl]amino]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O3S/c1-23(11-13-4-7-15(27-3)8-5-13)12-18-21-17-10-14(20(25)26-2)6-9-16(17)19(24)22-18/h4-10H,11-12H2,1-3H3,(H,21,22,24)