1-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]piperidine-3-carboxamide

Systemtic Name: 1-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]piperidine-3-carboxamide Openeye Name: 1-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]piperidine-3-carboxamide CAS Name: 1-[6-ethyl-4-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]-3-piperidinecarboxamide IUPAC Name: 1-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]piperidine-3-carboxamide Traditional Name: 1-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazino]thieno[2,3-d]pyrimidin-2-yl]nipecotamide Formula: C31H34N6O2S MolecularWeight: 554.70566

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=C(N=C2S1)N3CCCC(C3)C(=O)N)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

CCC1=CC2=C(N=C(N=C2S1)N3CCCC(C3)C(=O)N)N4CCN(CC4)C(=O)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C31H34N6O2S/c1-2-25-19-26-28(33-31(34-29(26)40-25)37-14-6-9-24(20-37)27(32)38)35-15-17-36(18-16-35)30(39)23-12-10-22(11-13-23)21-7-4-3-5-8-21/h3-5,7-8,10-13,19,24H,2,6,9,14-18,20H2,1H3,(H2,32,38)