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

Systemtic Name: ethyl 4-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-[4-(azepane-1-carbonyl)-1-piperidyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[4-(azepane-1-carbonyl)piperidin-1-yl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[4-(azepane-1-carbonyl)piperidino]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H30N4O3S MolecularWeight: 430.5636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O3S/c1-3-29-22(28)18-15(2)17-19(23-14-24-20(17)30-18)25-12-8-16(9-13-25)21(27)26-10-6-4-5-7-11-26/h14,16H,3-13H2,1-2H3