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

Systemtic Name: methyl 2-[(N'-butylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C15H20N4O3S2 MolecularWeight: 368.4743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N4O3S2/c1-4-5-6-17-15(16)23-7-9-18-12(20)10-8(2)11(14(21)22-3)24-13(10)19-9/h4-7H2,1-3H3,(H2,16,17)(H,18,19,20)