5-ethoxy-2-[phenoxy(4-piperidin-1-ylbutyl)amino]-1H-pyrimidin-6-one

Systemtic Name: 5-ethoxy-2-[phenoxy(4-piperidin-1-ylbutyl)amino]-1H-pyrimidin-6-one Openeye Name: 5-ethoxy-2-[phenoxy-[4-(1-piperidyl)butyl]amino]-1H-pyrimidin-6-one CAS Name: 5-ethoxy-2-[phenoxy-[4-(1-piperidinyl)butyl]amino]-1H-pyrimidin-6-one IUPAC Name: 5-ethoxy-2-[phenoxy(4-piperidin-1-ylbutyl)amino]-1H-pyrimidin-6-one Traditional Name: 5-ethoxy-2-[phenoxy(4-piperidinobutyl)amino]-1H-pyrimidin-6-one Formula: C21H30N4O3 MolecularWeight: 386.4879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CN=C(NC1=O)N(CCCCN2CCCCC2)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CN=C(NC1=O)N(CCCCN2CCCCC2)OC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3/c1-2-27-19-17-22-21(23-20(19)26)25(28-18-11-5-3-6-12-18)16-10-9-15-24-13-7-4-8-14-24/h3,5-6,11-12,17H,2,4,7-10,13-16H2,1H3,(H,22,23,26)