1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one

Systemtic Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[5-[(2,5-dimethylphenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[5-(2,5-dimethylbenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C30H38N4O MolecularWeight: 470.64892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H38N4O/c1-21-12-13-22(2)25(18-21)19-26-23(3)31-28(24-10-8-7-9-11-24)32-29(26)34-16-14-33(15-17-34)27(35)20-30(4,5)6/h7-13,18H,14-17,19-20H2,1-6H3