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

Systemtic Name: methyl 4-oxidanylidene-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino(phenylimino)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(N'-phenylcarbamimidoyl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(N'-phenylamidino)thio]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C18H16N4O3S MolecularWeight: 368.40964

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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=CC=C3)N

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O3S/c1-25-17(24)11-7-8-13-14(9-11)21-15(22-16(13)23)10-26-18(19)20-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,19,20)(H,21,22,23)