4-[4-(4-fluorophenyl)piperidin-1-yl]-2-(2-hydroxyethylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)piperidin-1-yl]-2-(2-hydroxyethylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-1-piperidyl]-2-(2-hydroxyethylamino)-6-(3-pyridylmethylamino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(4-fluorophenyl)-1-piperidinyl]-2-(2-hydroxyethylamino)-6-(3-pyridinylmethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(4-fluorophenyl)piperidin-1-yl]-2-(2-hydroxyethylamino)-6-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(4-fluorophenyl)piperidino]-2-(2-hydroxyethylamino)-6-(3-pyridylmethylamino)pyrimidine-5-carbonitrile Formula: C24H26FN7O MolecularWeight: 447.507943

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=CC=C(C=C2)F)C3=C(C(=NC(=N3)NCCO)NCC4=CN=CC=C4)C#N

Isomeric SMILES

C1CN(CCC1C2=CC=C(C=C2)F)C3=C(C(=NC(=N3)NCCO)NCC4=CN=CC=C4)C#N

InChI

InChI=1S/C24H26FN7O/c25-20-5-3-18(4-6-20)19-7-11-32(12-8-19)23-21(14-26)22(30-24(31-23)28-10-13-33)29-16-17-2-1-9-27-15-17/h1-6,9,15,19,33H,7-8,10-13,16H2,(H2,28,29,30,31)