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

Systemtic Name: methyl 2-[[N'-(3-methoxyphenyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[N'-(3-methoxyphenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino-(3-methoxyphenyl)iminomethyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[N'-(3-methoxyphenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[[N'-(3-methoxyphenyl)amidino]thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C19H18N4O4S/c1-26-13-5-3-4-12(9-13)21-19(20)28-10-16-22-15-8-11(18(25)27-2)6-7-14(15)17(24)23-16/h3-9H,10H2,1-2H3,(H2,20,21)(H,22,23,24)