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

Systemtic Name: methyl 2-[[N'-(4-chlorophenyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[N'-(4-chlorophenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino-(4-chlorophenyl)iminomethyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[N'-(4-chlorophenyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[[N'-(4-chlorophenyl)amidino]thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H15ClN4O3S MolecularWeight: 402.8547

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC(=NC3=CC=C(C=C3)Cl)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC(=NC3=CC=C(C=C3)Cl)N

InChI

InChI=1S/C18H15ClN4O3S/c1-26-17(25)10-2-7-13-14(8-10)22-15(23-16(13)24)9-27-18(20)21-12-5-3-11(19)4-6-12/h2-8H,9H2,1H3,(H2,20,21)(H,22,23,24)