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

Systemtic Name: 5-[3-[4-(4-dimethylaminophenyl)carbonylpiperazin-1-yl]prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Openeye Name: 5-[3-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile CAS Name: 5-[3-[4-[(4-dimethylaminophenyl)-oxomethyl]-1-piperazinyl]prop-1-ynyl]-4-(2,2-dimethylpropylamino)-2-pyrimidinecarbonitrile IUPAC Name: 5-[3-[4-[4-(dimethylamino)benzoyl]piperazin-1-yl]prop-1-ynyl]-4-(2,2-dimethylpropylamino)pyrimidine-2-carbonitrile Traditional Name: 5-[3-[4-[4-(dimethylamino)benzoyl]piperazino]prop-1-ynyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C26H33N7O MolecularWeight: 459.58652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C#CCN2CCN(CC2)C(=O)C3=CC=C(C=C3)N(C)C)C#N

InChI

InChI=1S/C26H33N7O/c1-26(2,3)19-29-24-21(18-28-23(17-27)30-24)7-6-12-32-13-15-33(16-14-32)25(34)20-8-10-22(11-9-20)31(4)5/h8-11,18H,12-16,19H2,1-5H3,(H,28,29,30)