methyl 2-[[N'-(3-methylbutyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[N'-(3-methylbutyl)carbamimidoyl]sulfanylmethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(N'-isopentylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino(3-methylbutylimino)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[N'-(3-methylbutyl)carbamimidoyl]sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(N'-isoamylamidino)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)CCN=C(N)SCC1=NC(=O)C2=C(N1)C=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H22N4O3S/c1-10(2)6-7-19-17(18)25-9-14-20-13-8-11(16(23)24-3)4-5-12(13)15(22)21-14/h4-5,8,10H,6-7,9H2,1-3H3,(H2,18,19)(H,20,21,22)