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

Systemtic Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one Openeye Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazin-1-yl]-3,3-dimethyl-butan-1-one CAS Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-4-pyrimidinyl]-1-piperazinyl]-3,3-dimethyl-1-butanone IUPAC Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methylpyrimidin-4-yl]piperazin-1-yl]-3,3-dimethylbutan-1-one Traditional Name: 1-[4-[5-ethyl-2-(3-fluorophenyl)-6-methyl-pyrimidin-4-yl]piperazino]-3,3-dimethyl-butan-1-one Formula: C23H31FN4O MolecularWeight: 398.516843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CC(C)(C)C)C3=CC(=CC=C3)F)C

Isomeric SMILES

CCC1=C(N=C(N=C1N2CCN(CC2)C(=O)CC(C)(C)C)C3=CC(=CC=C3)F)C

InChI

InChI=1S/C23H31FN4O/c1-6-19-16(2)25-21(17-8-7-9-18(24)14-17)26-22(19)28-12-10-27(11-13-28)20(29)15-23(3,4)5/h7-9,14H,6,10-13,15H2,1-5H3