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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)-2-(3-pyridylmethylamino)pyrimidine-5-carbonitrile CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-6-(2-hydroxyethylamino)-2-(3-pyridinylmethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carbonitrile Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-6-(2-hydroxyethylamino)-2-(3-pyridylmethylamino)pyrimidine-5-carbonitrile Formula: C23H25FN8O MolecularWeight: 448.496003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC(=N3)NCC4=CN=CC=C4)NCCO)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)F)C3=C(C(=NC(=N3)NCC4=CN=CC=C4)NCCO)C#N

InChI

InChI=1S/C23H25FN8O/c24-18-3-5-19(6-4-18)31-9-11-32(12-10-31)22-20(14-25)21(27-8-13-33)29-23(30-22)28-16-17-2-1-7-26-15-17/h1-7,15,33H,8-13,16H2,(H2,27,28,29,30)