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

Systemtic Name: N-[6-ethyl-4-[4-(4-phenylphenyl)carbonylpiperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]pyridine-4-carboxamide Openeye Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]pyridine-4-carboxamide CAS Name: N-[6-ethyl-4-[4-[oxo-(4-phenylphenyl)methyl]-1-piperazinyl]-2-thieno[2,3-d]pyrimidinyl]-4-pyridinecarboxamide IUPAC Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazin-1-yl]thieno[2,3-d]pyrimidin-2-yl]pyridine-4-carboxamide Traditional Name: N-[6-ethyl-4-[4-(4-phenylbenzoyl)piperazino]thieno[2,3-d]pyrimidin-2-yl]isonicotinamide Formula: C31H28N6O2S MolecularWeight: 548.65802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H28N6O2S/c1-2-25-20-26-27(33-31(35-29(26)40-25)34-28(38)23-12-14-32-15-13-23)36-16-18-37(19-17-36)30(39)24-10-8-22(9-11-24)21-6-4-3-5-7-21/h3-15,20H,2,16-19H2,1H3,(H,33,34,35,38)