4-[4-(4-fluorophenyl)piperidin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile

Systemtic Name: 4-[4-(4-fluorophenyl)piperidin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-[4-(4-fluorophenyl)-1-piperidyl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(4-fluorophenyl)-1-piperidinyl]-2,6-bis(2-hydroxyethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(4-fluorophenyl)piperidin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(4-fluorophenyl)piperidino]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Formula: C20H25FN6O2 MolecularWeight: 400.449903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25FN6O2/c21-16-3-1-14(2-4-16)15-5-9-27(10-6-15)19-17(13-22)18(23-7-11-28)25-20(26-19)24-8-12-29/h1-4,15,28-29H,5-12H2,(H2,23,24,25,26)