methyl 2-[[N'-(2,6-dimethylphenyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[N'-(2,6-dimethylphenyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[N'-(2,6-dimethylphenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino-(2,6-dimethylphenyl)iminomethyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[N'-(2,6-dimethylphenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[N'-(2,6-dimethylphenyl)amidino]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=CC=C1)C)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N4O3S/c1-11-5-4-6-12(2)17(11)24-20(21)28-10-16-22-15-9-13(19(26)27-3)7-8-14(15)18(25)23-16/h4-9H,10H2,1-3H3,(H2,21,24)(H,22,23,25)