[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl-dimethyl-[2-(3-pyrrolidin-1-ylphenyl)ethyl]azanium

Systemtic Name: [2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl-dimethyl-[2-(3-pyrrolidin-1-ylphenyl)ethyl]azanium Openeye Name: [2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl-dimethyl-[2-(3-pyrrolidin-1-ylphenyl)ethyl]ammonium CAS Name: [2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl-dimethyl-[2-[3-(1-pyrrolidinyl)phenyl]ethyl]ammonium IUPAC Name: [2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl-dimethyl-[2-(3-pyrrolidin-1-ylphenyl)ethyl]azanium Traditional Name: [2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl-dimethyl-[2-(3-pyrrolidinophenyl)ethyl]ammonium Formula: C25H37N6+ MolecularWeight: 421.60148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CNC1=NC(=NC=C1C[N+](C)(C)CCC2=CC(=CC=C2)N3CCCC3)C#N

Isomeric SMILES

CC(C)(C)CNC1=NC(=NC=C1C[N+](C)(C)CCC2=CC(=CC=C2)N3CCCC3)C#N

InChI

InChI=1S/C25H37N6/c1-25(2,3)19-28-24-21(17-27-23(16-26)29-24)18-31(4,5)14-11-20-9-8-10-22(15-20)30-12-6-7-13-30/h8-10,15,17H,6-7,11-14,18-19H2,1-5H3,(H,27,28,29)/q+1