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

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]-3,5,5-trimethyl-hexan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-3,5,5-trimethyl-1-hexanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]-3,5,5-trimethylhexan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]-3,5,5-trimethyl-hexan-1-one Formula: C27H40N4O MolecularWeight: 436.6327

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C)CC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC(C)CC(C)(C)C)CC3=CC=CC=C3

InChI

InChI=1S/C27H40N4O/c1-7-24-23(18-22-11-9-8-10-12-22)26(29-21(3)28-24)31-15-13-30(14-16-31)25(32)17-20(2)19-27(4,5)6/h8-12,20H,7,13-19H2,1-6H3