ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(1-isopropylbenzimidazol-2-yl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1S)-1-[(1-propan-2-yl-2-benzimidazolyl)thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-[(1-isopropylbenzimidazol-2-yl)thio]ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H24N4O3S2 MolecularWeight: 456.58096

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)SC3=NC4=CC=CC=C4N3C(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)SC3=NC4=CC=CC=C4N3C(C)C)C

InChI

InChI=1S/C22H24N4O3S2/c1-6-29-21(28)17-12(4)16-19(27)24-18(25-20(16)31-17)13(5)30-22-23-14-9-7-8-10-15(14)26(22)11(2)3/h7-11,13H,6H2,1-5H3,(H,24,25,27)/t13-/m0/s1