ethyl 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(azepane-1-carbonyl)-1-piperidyl]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2,5-dimethyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,5-dimethylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H32N4O3S MolecularWeight: 444.59018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC(CC3)C(=O)N4CCCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC(CC3)C(=O)N4CCCCCC4)C

InChI

InChI=1S/C23H32N4O3S/c1-4-30-23(29)19-15(2)18-20(24-16(3)25-21(18)31-19)26-13-9-17(10-14-26)22(28)27-11-7-5-6-8-12-27/h17H,4-14H2,1-3H3