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

Systemtic Name: methyl 5-methyl-2-[(N'-methylcarbamimidoyl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-2-[(N'-methylcarbamimidoyl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[[amino(methylimino)methyl]thio]methyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(N'-methylcarbamimidoyl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(N'-methylamidino)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C12H14N4O3S2 MolecularWeight: 326.39456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N4O3S2/c1-5-7-9(17)15-6(4-20-12(13)14-2)16-10(7)21-8(5)11(18)19-3/h4H2,1-3H3,(H2,13,14)(H,15,16,17)