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

Systemtic Name: 6-(4-methyl-2-piperidin-1-yl-pyrimidin-5-yl)-2-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-1-yl)-6-[4-methyl-2-(1-piperidyl)pyrimidin-5-yl]-1H-pyrimidin-4-one CAS Name: 6-[4-methyl-2-(1-piperidinyl)-5-pyrimidinyl]-2-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-1-yl)-6-(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazino)-6-(4-methyl-2-piperidino-pyrimidin-5-yl)-1H-pyrimidin-4-one Formula: C25H31N7O MolecularWeight: 445.55994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1C2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC=CC=C4)N5CCCCC5

Isomeric SMILES

CC1=NC(=NC=C1C2=CC(=O)N=C(N2)N3CCN(CC3)CC4=CC=CC=C4)N5CCCCC5

InChI

InChI=1S/C25H31N7O/c1-19-21(17-26-24(27-19)31-10-6-3-7-11-31)22-16-23(33)29-25(28-22)32-14-12-30(13-15-32)18-20-8-4-2-5-9-20/h2,4-5,8-9,16-17H,3,6-7,10-15,18H2,1H3,(H,28,29,33)