ethyl 5-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-[(1-methyl-2-imidazolyl)thio]-2-(1-piperidinylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-methyl-4-[(1-methylimidazol-2-yl)thio]-2-(piperidinomethyl)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H25N5O2S2 MolecularWeight: 431.5748

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SC3=NC=CN3C)CN4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(N=C2SC3=NC=CN3C)CN4CCCCC4)C

InChI

InChI=1S/C20H25N5O2S2/c1-4-27-19(26)16-13(2)15-17(28-16)22-14(12-25-9-6-5-7-10-25)23-18(15)29-20-21-8-11-24(20)3/h8,11H,4-7,9-10,12H2,1-3H3