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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)C)CC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)C(=O)CC(C)C)CC4=C(C=CC(=C4)C)C

InChI

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