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

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]hexan-1-one Openeye Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazin-1-yl]hexan-1-one CAS Name: 1-[4-[6-ethyl-2-methyl-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-hexanone IUPAC Name: 1-[4-(5-benzyl-6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]hexan-1-one Traditional Name: 1-[4-(5-benzyl-6-ethyl-2-methyl-pyrimidin-4-yl)piperazino]hexan-1-one Formula: C24H34N4O MolecularWeight: 394.55296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)CC)C

Isomeric SMILES

CCCCCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)CC)C

InChI

InChI=1S/C24H34N4O/c1-4-6-8-13-23(29)27-14-16-28(17-15-27)24-21(18-20-11-9-7-10-12-20)22(5-2)25-19(3)26-24/h7,9-12H,4-6,8,13-18H2,1-3H3