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

Systemtic Name: methyl 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[(6-methyl-1H-benzimidazol-2-yl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC4=C(C(=C(S4)C(=O)OC)C)C(=O)N3

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N2)SCC3=NC4=C(C(=C(S4)C(=O)OC)C)C(=O)N3

InChI

InChI=1S/C18H16N4O3S2/c1-8-4-5-10-11(6-8)20-18(19-10)26-7-12-21-15(23)13-9(2)14(17(24)25-3)27-16(13)22-12/h4-6H,7H2,1-3H3,(H,19,20)(H,21,22,23)