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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC=C1CN=C(N)SCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H20N4O4S/c1-27-16-6-4-3-5-13(16)10-22-20(21)29-11-17-23-15-9-12(19(26)28-2)7-8-14(15)18(25)24-17/h3-9H,10-11H2,1-2H3,(H2,21,22)(H,23,24,25)