4-(2,2-dimethylpropylamino)-5-[[[4-(4-methylpiperazin-1-yl)phenyl]methylamino]methyl]pyrimidine-2-carbonitrile

Systemtic Name: 4-(2,2-dimethylpropylamino)-5-[[[4-(4-methylpiperazin-1-yl)phenyl]methylamino]methyl]pyrimidine-2-carbonitrile Openeye Name: 4-(2,2-dimethylpropylamino)-5-[[[4-(4-methylpiperazin-1-yl)phenyl]methylamino]methyl]pyrimidine-2-carbonitrile CAS Name: 4-(2,2-dimethylpropylamino)-5-[[[4-(4-methyl-1-piperazinyl)phenyl]methylamino]methyl]-2-pyrimidinecarbonitrile IUPAC Name: 4-(2,2-dimethylpropylamino)-5-[[[4-(4-methylpiperazin-1-yl)phenyl]methylamino]methyl]pyrimidine-2-carbonitrile Traditional Name: 5-[[[4-(4-methylpiperazino)benzyl]amino]methyl]-4-(neopentylamino)pyrimidine-2-carbonitrile Formula: C23H33N7 MolecularWeight: 407.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1CNCC2=CC=C(C=C2)N3CCN(CC3)C)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1CNCC2=CC=C(C=C2)N3CCN(CC3)C)C#N

InChI

InChI=1S/C23H33N7/c1-23(2,3)17-27-22-19(16-26-21(13-24)28-22)15-25-14-18-5-7-20(8-6-18)30-11-9-29(4)10-12-30/h5-8,16,25H,9-12,14-15,17H2,1-4H3,(H,26,27,28)