methyl 1-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]piperidine-4-carboxylate CAS Name: 1-[3-[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)amino]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]piperidine-4-carboxylate Traditional Name: 1-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]isonipecotic acid methyl ester Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CCCNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1CCN(CC1)CCCNC2=C3C(=CSC3=NC=N2)C4=CC=CC=C4

InChI

InChI=1S/C22H26N4O2S/c1-28-22(27)17-8-12-26(13-9-17)11-5-10-23-20-19-18(16-6-3-2-4-7-16)14-29-21(19)25-15-24-20/h2-4,6-7,14-15,17H,5,8-13H2,1H3,(H,23,24,25)