1-[4-[6-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one

Systemtic Name: 1-[4-[6-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one Openeye Name: 1-[4-[6-(methoxymethyl)-5-(m-tolylmethyl)-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-methyl-butan-1-one CAS Name: 1-[4-[6-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-methyl-1-butanone IUPAC Name: 1-[4-[6-(methoxymethyl)-5-[(3-methylphenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-methylbutan-1-one Traditional Name: 1-[4-[6-(methoxymethyl)-5-(3-methylbenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]-3-methyl-butan-1-one Formula: C29H36N4O2 MolecularWeight: 472.62174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)CC(C)C)C4=CC=CC=C4)COC

Isomeric SMILES

CC1=CC(=CC=C1)CC2=C(N=C(N=C2N3CCN(CC3)C(=O)CC(C)C)C4=CC=CC=C4)COC

InChI

InChI=1S/C29H36N4O2/c1-21(2)17-27(34)32-13-15-33(16-14-32)29-25(19-23-10-8-9-22(3)18-23)26(20-35-4)30-28(31-29)24-11-6-5-7-12-24/h5-12,18,21H,13-17,19-20H2,1-4H3