2-[[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one

Systemtic Name: 2-[[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one Openeye Name: 2-[[(E)-4-[3-(1-piperidylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one CAS Name: 2-[[(E)-4-[3-(1-piperidinylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one IUPAC Name: 2-[[(E)-4-[3-(piperidin-1-ylmethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one Traditional Name: 2-[[(E)-4-[3-(piperidinomethyl)phenoxy]but-2-enyl]amino]-1H-pyrimidin-6-one Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=CC=C2)OCC=CCNC3=NC=CC(=O)N3

Isomeric SMILES

C1CCN(CC1)CC2=CC(=CC=C2)OC/C=C/CNC3=NC=CC(=O)N3

InChI

InChI=1S/C20H26N4O2/c25-19-9-11-22-20(23-19)21-10-2-5-14-26-18-8-6-7-17(15-18)16-24-12-3-1-4-13-24/h2,5-9,11,15H,1,3-4,10,12-14,16H2,(H2,21,22,23,25)/b5-2+