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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)O)C)C(=O)N3

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC3=NC4=C(C(=C(S4)C(=O)O)C)C(=O)N3

InChI

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