1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-but-3-en-2-ol

Systemtic Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-but-3-en-2-ol Openeye Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-pyrimidin-4-yl]piperazin-1-yl]-2-methyl-but-3-en-2-ol CAS Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methyl-4-pyrimidinyl]-1-piperazinyl]-2-methyl-3-buten-2-ol IUPAC Name: 1-[4-[6-ethyl-5-[(3-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-methylbut-3-en-2-ol Traditional Name: 1-[4-[6-ethyl-5-(3-fluorobenzyl)-2-methyl-pyrimidin-4-yl]piperazino]-2-methyl-but-3-en-2-ol Formula: C23H31FN4O MolecularWeight: 398.516843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31FN4O/c1-5-21-20(15-18-8-7-9-19(24)14-18)22(26-17(3)25-21)28-12-10-27(11-13-28)16-23(4,29)6-2/h6-9,14,29H,2,5,10-13,15-16H2,1,3-4H3