ethyl 1-(5-methyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-methyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-[5-methyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[5-methyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbonyl)piperidine-4-carboxylate Traditional Name: 1-(5-methyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carbonyl)isonipecotic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCC4)C

InChI

InChI=1S/C21H28N4O3S/c1-3-28-21(27)15-7-11-25(12-8-15)20(26)17-14(2)16-18(22-13-23-19(16)29-17)24-9-5-4-6-10-24/h13,15H,3-12H2,1-2H3