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

Systemtic Name: methyl 2-[[N'-(4-ethoxyphenyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[N'-(4-ethoxyphenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino-(4-ethoxyphenyl)iminomethyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[N'-(4-ethoxyphenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(N'-p-phenetylamidino)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)N=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N4O4S/c1-3-28-14-7-5-13(6-8-14)22-20(21)29-11-17-23-16-10-12(19(26)27-2)4-9-15(16)18(25)24-17/h4-10H,3,11H2,1-2H3,(H2,21,22)(H,23,24,25)