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

Systemtic Name: ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylpiperidine-3-carboxylate Openeye Name: ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate CAS Name: 1-[[5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]piperidine-3-carboxylate Traditional Name: 1-[5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carbonyl]nipecotic acid ethyl ester Formula: C26H31N5O3S MolecularWeight: 493.62104

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C26H31N5O3S/c1-3-34-26(33)19-8-7-11-31(16-19)25(32)22-18(2)21-23(27-17-28-24(21)35-22)30-14-12-29(13-15-30)20-9-5-4-6-10-20/h4-6,9-10,17,19H,3,7-8,11-16H2,1-2H3