1-[4-[2-azanyl-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]octan-1-one

Systemtic Name: 1-[4-[2-azanyl-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]octan-1-one Openeye Name: 1-[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]-1-piperidyl]octan-1-one CAS Name: 1-[4-[2-amino-6-[(4-methoxyphenyl)methyl]-4-pyrimidinyl]-1-piperidinyl]-1-octanone IUPAC Name: 1-[4-[2-amino-6-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]piperidin-1-yl]octan-1-one Traditional Name: 1-[4-(2-amino-6-p-anisyl-pyrimidin-4-yl)piperidino]octan-1-one Formula: C25H36N4O2 MolecularWeight: 424.57894

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)N1CCC(CC1)C2=CC(=NC(=N2)N)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCCCCCCC(=O)N1CCC(CC1)C2=CC(=NC(=N2)N)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C25H36N4O2/c1-3-4-5-6-7-8-24(30)29-15-13-20(14-16-29)23-18-21(27-25(26)28-23)17-19-9-11-22(31-2)12-10-19/h9-12,18,20H,3-8,13-17H2,1-2H3,(H2,26,27,28)