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

Systemtic Name: methyl 2-[(N'-cyclopentylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(N'-cyclopentylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[amino(cyclopentylimino)methyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(N'-cyclopentylcarbamimidoyl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(N'-cyclopentylamidino)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C16H20N4O3S2 MolecularWeight: 380.485

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC(=NC3CCCC3)N)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC(=NC3CCCC3)N)C(=O)OC

InChI

InChI=1S/C16H20N4O3S2/c1-8-11-13(21)19-10(20-14(11)25-12(8)15(22)23-2)7-24-16(17)18-9-5-3-4-6-9/h9H,3-7H2,1-2H3,(H2,17,18)(H,19,20,21)