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

Systemtic Name: methyl 4-oxidanylidene-2-[[N'-(phenylmethyl)carbamimidoyl]sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(N'-benzylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino-(phenylmethyl)iminomethyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[(N'-benzylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(N'-benzylamidino)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC(=NCC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)CSC(=NCC3=CC=CC=C3)N

InChI

InChI=1S/C19H18N4O3S/c1-26-18(25)13-7-8-14-15(9-13)22-16(23-17(14)24)11-27-19(20)21-10-12-5-3-2-4-6-12/h2-9H,10-11H2,1H3,(H2,20,21)(H,22,23,24)