methyl 2-[[N'-(3,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[N'-(3,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[N'-(3,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino-(3,5-dimethylphenyl)iminomethyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[N'-(3,5-dimethylphenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[N'-(3,5-dimethylphenyl)amidino]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H20N4O3S MolecularWeight: 396.4628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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