5-methyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 5-methyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-[(1-isobutylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[[1-(2-methylpropyl)-2-benzimidazolyl]thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-2-[[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(1-isobutylbenzimidazol-2-yl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C20H19N4O3S2- MolecularWeight: 427.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4N3CC(C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4N3CC(C)C)C(=O)[O-]

InChI

InChI=1S/C20H20N4O3S2/c1-10(2)8-24-13-7-5-4-6-12(13)21-20(24)28-9-14-22-17(25)15-11(3)16(19(26)27)29-18(15)23-14/h4-7,10H,8-9H2,1-3H3,(H,26,27)(H,22,23,25)/p-1