1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one

Systemtic Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Openeye Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one CAS Name: 1-[4-[6-methyl-2-(3-methylphenyl)-5-(phenylmethyl)-4-pyrimidinyl]-1-piperazinyl]-1-propanone IUPAC Name: 1-[4-[5-benzyl-6-methyl-2-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one Traditional Name: 1-[4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazino]propan-1-one Formula: C26H30N4O MolecularWeight: 414.5426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC(=CC=C4)C

Isomeric SMILES

CCC(=O)N1CCN(CC1)C2=NC(=NC(=C2CC3=CC=CC=C3)C)C4=CC(=CC=C4)C

InChI

InChI=1S/C26H30N4O/c1-4-24(31)29-13-15-30(16-14-29)26-23(18-21-10-6-5-7-11-21)20(3)27-25(28-26)22-12-8-9-19(2)17-22/h5-12,17H,4,13-16,18H2,1-3H3