4-(2,2-dimethylpropylamino)-5-[3-[4-(4-ethanoylphenyl)piperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[3-[4-(4-ethanoylphenyl)piperazin-1-yl]prop-1-ynyl]pyrimidine-2-carbonitrile Openeye Name: 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile CAS Name: 5-[3-[4-(4-acetylphenyl)-1-piperazinyl]prop-1-ynyl]-4-(2,2-dimethylpropylamino)-2-pyrimidinecarbonitrile IUPAC Name: 5-[3-[4-(4-acetylphenyl)piperazin-1-yl]prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Traditional Name: 5-[3-[4-(4-acetylphenyl)piperazino]prop-1-ynyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C25H30N6O MolecularWeight: 430.5453

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC#CC3=CN=C(N=C3NCC(C)(C)C)C#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)CC#CC3=CN=C(N=C3NCC(C)(C)C)C#N

InChI

InChI=1S/C25H30N6O/c1-19(32)20-7-9-22(10-8-20)31-14-12-30(13-15-31)11-5-6-21-17-27-23(16-26)29-24(21)28-18-25(2,3)4/h7-10,17H,11-15,18H2,1-4H3,(H,27,28,29)