4-(2,2-dimethylpropylamino)-5-[3-(4-oxidanyl-4-phenyl-piperidin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-oxidanyl-4-phenyl-piperidin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-hydroxy-4-phenyl-1-piperidyl)prop-1-ynyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-hydroxy-4-phenyl-1-piperidinyl)prop-1-ynyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[3-(4-hydroxy-4-phenylpiperidin-1-yl)prop-1-ynyl]pyrimidine-2-carbonitrile Traditional Name: 5-[3-(4-hydroxy-4-phenyl-piperidino)prop-1-ynyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C24H29N5O MolecularWeight: 403.51996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCC(CC2)(C3=CC=CC=C3)O)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCC(CC2)(C3=CC=CC=C3)O)C#N

InChI

InChI=1S/C24H29N5O/c1-23(2,3)18-27-22-19(17-26-21(16-25)28-22)8-7-13-29-14-11-24(30,12-15-29)20-9-5-4-6-10-20/h4-6,9-10,17,30H,11-15,18H2,1-3H3,(H,26,27,28)