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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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