ethyl 2-[(N'-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-[(N'-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(N'-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[amino(butylimino)methyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(N'-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(N'-butylamidino)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H22N4O3S2 MolecularWeight: 382.50088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(N)SCC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1

Isomeric SMILES

CCCCN=C(N)SCC1=NC2=C(C(=C(S2)C(=O)OCC)C)C(=O)N1

InChI

InChI=1S/C16H22N4O3S2/c1-4-6-7-18-16(17)24-8-10-19-13(21)11-9(3)12(15(22)23-5-2)25-14(11)20-10/h4-8H2,1-3H3,(H2,17,18)(H,19,20,21)