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

Systemtic Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(2-fluorophenyl)-1-piperazinyl]-2,6-bis(2-hydroxyethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(2-fluorophenyl)piperazin-1-yl]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(2-fluorophenyl)piperazino]-2,6-bis(2-hydroxyethylamino)pyrimidine-5-carbonitrile Formula: C19H24FN7O2 MolecularWeight: 401.437963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC(=N3)NCCO)NCCO)C#N

InChI

InChI=1S/C19H24FN7O2/c20-15-3-1-2-4-16(15)26-7-9-27(10-8-26)18-14(13-21)17(22-5-11-28)24-19(25-18)23-6-12-29/h1-4,28-29H,5-12H2,(H2,22,23,24,25)