4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol hydrate

Systemtic Name: 4-[4-(5-fluoranylpyrimidin-2-yl)piperazin-1-yl]-1-(4-fluorophenyl)butan-1-ol hydrate Openeye Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol hydrate CAS Name: 1-(4-fluorophenyl)-4-[4-(5-fluoro-2-pyrimidinyl)-1-piperazinyl]-1-butanol hydrate IUPAC Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazin-1-yl]butan-1-ol hydrate Traditional Name: 1-(4-fluorophenyl)-4-[4-(5-fluoropyrimidin-2-yl)piperazino]butan-1-ol hydrate Formula: C18H24F2N4O2 MolecularWeight: 366.405566

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F.O

Isomeric SMILES

C1CN(CCN1CCCC(C2=CC=C(C=C2)F)O)C3=NC=C(C=N3)F.O

InChI

InChI=1S/C18H22F2N4O.H2O/c19-15-5-3-14(4-6-15)17(25)2-1-7-23-8-10-24(11-9-23)18-21-12-16(20)13-22-18;/h3-6,12-13,17,25H,1-2,7-11H2;1H2