6-(3-fluoranylpyridin-4-yl)-3-methyl-2-[(3S)-3-(4-piperidin-1-ylphenyl)piperazin-1-yl]pyrimidin-4-one

Systemtic Name: 6-(3-fluoranylpyridin-4-yl)-3-methyl-2-[(3S)-3-(4-piperidin-1-ylphenyl)piperazin-1-yl]pyrimidin-4-one Openeye Name: 6-(3-fluoro-4-pyridyl)-3-methyl-2-[(3S)-3-[4-(1-piperidyl)phenyl]piperazin-1-yl]pyrimidin-4-one CAS Name: 6-(3-fluoro-4-pyridinyl)-3-methyl-2-[(3S)-3-[4-(1-piperidinyl)phenyl]-1-piperazinyl]-4-pyrimidinone IUPAC Name: 6-(3-fluoropyridin-4-yl)-3-methyl-2-[(3S)-3-(4-piperidin-1-ylphenyl)piperazin-1-yl]pyrimidin-4-one Traditional Name: 6-(3-fluoro-4-pyridyl)-3-methyl-2-[(3S)-3-(4-piperidinophenyl)piperazino]pyrimidin-4-one Formula: C25H29FN6O MolecularWeight: 448.535763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C=C(N=C1N2CCNC(C2)C3=CC=C(C=C3)N4CCCCC4)C5=C(C=NC=C5)F

Isomeric SMILES

CN1C(=O)C=C(N=C1N2CCN[C@H](C2)C3=CC=C(C=C3)N4CCCCC4)C5=C(C=NC=C5)F

InChI

InChI=1S/C25H29FN6O/c1-30-24(33)15-22(20-9-10-27-16-21(20)26)29-25(30)32-14-11-28-23(17-32)18-5-7-19(8-6-18)31-12-3-2-4-13-31/h5-10,15-16,23,28H,2-4,11-14,17H2,1H3/t23-/m1/s1