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

Systemtic Name: ethyl 2-[(1S)-1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-[(1-ethyl-2-benzimidazolyl)thio]ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(1-ethylbenzimidazol-2-yl)sulfanylethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-[(1-ethylbenzimidazol-2-yl)thio]ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N4O3S2 MolecularWeight: 442.55438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SC(C)C3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1S[C@@H](C)C3=NC4=C(C(=C(S4)C(=O)OCC)C)C(=O)N3

InChI

InChI=1S/C21H22N4O3S2/c1-5-25-14-10-8-7-9-13(14)22-21(25)29-12(4)17-23-18(26)15-11(3)16(20(27)28-6-2)30-19(15)24-17/h7-10,12H,5-6H2,1-4H3,(H,23,24,26)/t12-/m0/s1