N-[3-[4-[5-(hydroxymethyl)thiophen-2-yl]-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]piperidine-4-carboxamide

Systemtic Name: N-[3-[4-[5-(hydroxymethyl)thiophen-2-yl]-6-morpholin-4-yl-pyrimidin-2-yl]phenyl]piperidine-4-carboxamide Openeye Name: N-[3-[4-[5-(hydroxymethyl)-2-thienyl]-6-morpholino-pyrimidin-2-yl]phenyl]piperidine-4-carboxamide CAS Name: N-[3-[4-[5-(hydroxymethyl)-2-thiophenyl]-6-(4-morpholinyl)-2-pyrimidinyl]phenyl]-4-piperidinecarboxamide IUPAC Name: N-[3-[4-[5-(hydroxymethyl)thiophen-2-yl]-6-morpholin-4-ylpyrimidin-2-yl]phenyl]piperidine-4-carboxamide Traditional Name: N-[3-[4-(5-methylol-2-thienyl)-6-morpholino-pyrimidin-2-yl]phenyl]isonipecotamide Formula: C25H29N5O3S MolecularWeight: 479.59446

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C(=O)NC2=CC=CC(=C2)C3=NC(=CC(=N3)N4CCOCC4)C5=CC=C(S5)CO

Isomeric SMILES

C1CNCCC1C(=O)NC2=CC=CC(=C2)C3=NC(=CC(=N3)N4CCOCC4)C5=CC=C(S5)CO

InChI

InChI=1S/C25H29N5O3S/c31-16-20-4-5-22(34-20)21-15-23(30-10-12-33-13-11-30)29-24(28-21)18-2-1-3-19(14-18)27-25(32)17-6-8-26-9-7-17/h1-5,14-15,17,26,31H,6-13,16H2,(H,27,32)