1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-enoxy-propan-2-ol

Systemtic Name: 1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]-3-prop-2-enoxy-propan-2-ol Openeye Name: 1-allyloxy-3-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-pyrimidin-4-yl]piperazin-1-yl]propan-2-ol CAS Name: 1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenyl-4-pyrimidinyl]-1-piperazinyl]-3-prop-2-enoxy-2-propanol IUPAC Name: 1-[4-[6-ethyl-5-[(2-fluorophenyl)methyl]-2-phenylpyrimidin-4-yl]piperazin-1-yl]-3-prop-2-enoxypropan-2-ol Traditional Name: 1-allyloxy-3-[4-[6-ethyl-5-(2-fluorobenzyl)-2-phenyl-pyrimidin-4-yl]piperazino]propan-2-ol Formula: C29H35FN4O2 MolecularWeight: 490.612203

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC=C)O)CC4=CC=CC=C4F

Isomeric SMILES

CCC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCN(CC3)CC(COCC=C)O)CC4=CC=CC=C4F

InChI

InChI=1S/C29H35FN4O2/c1-3-18-36-21-24(35)20-33-14-16-34(17-15-33)29-25(19-23-12-8-9-13-26(23)30)27(4-2)31-28(32-29)22-10-6-5-7-11-22/h3,5-13,24,35H,1,4,14-21H2,2H3