1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one

Systemtic Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[2,6-dimethyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-(5-benzyl-2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-(5-benzyl-2,6-dimethyl-pyrimidin-4-yl)piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C26H38N4O MolecularWeight: 422.60612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C26H38N4O/c1-19(18-26(4,5)6)16-24(31)29-12-14-30(15-13-29)25-23(20(2)27-21(3)28-25)17-22-10-8-7-9-11-22/h7-11,19H,12-18H2,1-6H3