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

Systemtic Name: 2-(cyclopropylmethylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile Openeye Name: 2-(cyclopropylmethylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile CAS Name: 2-(cyclopropylmethylamino)-4-[4-(4-fluorophenyl)-1-piperazinyl]-6-(2-hydroxyethylamino)-5-pyrimidinecarbonitrile IUPAC Name: 2-(cyclopropylmethylamino)-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile Traditional Name: 2-(cyclopropylmethylamino)-4-[4-(4-fluorophenyl)piperazino]-6-(2-hydroxyethylamino)pyrimidine-5-carbonitrile Formula: C21H26FN7O MolecularWeight: 411.475843

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CNC2=NC(=C(C(=N2)NCCO)C#N)N3CCN(CC3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CC1CNC2=NC(=C(C(=N2)NCCO)C#N)N3CCN(CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H26FN7O/c22-16-3-5-17(6-4-16)28-8-10-29(11-9-28)20-18(13-23)19(24-7-12-30)26-21(27-20)25-14-15-1-2-15/h3-6,15,30H,1-2,7-12,14H2,(H2,24,25,26,27)