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

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C24H33FN4O MolecularWeight: 412.543423

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC(C)(C)C)CC3=CC(=CC=C3)F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCN(CC2)C(=O)CC(C)(C)C)CC3=CC(=CC=C3)F

InChI

InChI=1S/C24H33FN4O/c1-6-21-20(15-18-8-7-9-19(25)14-18)23(27-17(2)26-21)29-12-10-28(11-13-29)22(30)16-24(3,4)5/h7-9,14H,6,10-13,15-16H2,1-5H3