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

Systemtic Name: methyl 4-oxidanylidene-2-[(N'-propan-2-ylcarbamimidoyl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[(N'-isopropylcarbamimidoyl)sulfanylmethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[[amino(propan-2-ylimino)methyl]thio]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[(N'-propan-2-ylcarbamimidoyl)sulfanylmethyl]-1H-quinazoline-7-carboxylate Traditional Name: 2-[[(N'-isopropylamidino)thio]methyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O3S/c1-8(2)17-15(16)23-7-12-18-11-6-9(14(21)22-3)4-5-10(11)13(20)19-12/h4-6,8H,7H2,1-3H3,(H2,16,17)(H,18,19,20)