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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1R)-1-(1-propylimidazol-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(1R)-1-(1-propylimidazol-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1R)-1-[(1-propyl-2-imidazolyl)thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1R)-1-(1-propylimidazol-2-yl)sulfanylethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1R)-1-[(1-propylimidazol-2-yl)thio]ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=CN=C1SC(C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

Isomeric SMILES

CCCN1C=CN=C1S[C@H](C)C2=NC3=C(C(=C(S3)C(=O)OCC)C)C(=O)N2

InChI

InChI=1S/C18H22N4O3S2/c1-5-8-22-9-7-19-18(22)26-11(4)14-20-15(23)12-10(3)13(17(24)25-6-2)27-16(12)21-14/h7,9,11H,5-6,8H2,1-4H3,(H,20,21,23)/t11-/m1/s1