[2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl-ethyl-methyl-(1-phenylcyclopropyl)azanium

Systemtic Name: [2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl-ethyl-methyl-(1-phenylcyclopropyl)azanium Openeye Name: [2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl-ethyl-methyl-(1-phenylcyclopropyl)ammonium CAS Name: [2-cyano-4-(2,2-dimethylpropylamino)-5-pyrimidinyl]methyl-ethyl-methyl-(1-phenylcyclopropyl)ammonium IUPAC Name: [2-cyano-4-(2,2-dimethylpropylamino)pyrimidin-5-yl]methyl-ethyl-methyl-(1-phenylcyclopropyl)azanium Traditional Name: [2-cyano-4-(neopentylamino)pyrimidin-5-yl]methyl-ethyl-methyl-(1-phenylcyclopropyl)ammonium Formula: C23H32N5+ MolecularWeight: 378.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CC1=CN=C(N=C1NCC(C)(C)C)C#N)C2(CC2)C3=CC=CC=C3

Isomeric SMILES

CC[N+](C)(CC1=CN=C(N=C1NCC(C)(C)C)C#N)C2(CC2)C3=CC=CC=C3

InChI

InChI=1S/C23H32N5/c1-6-28(5,23(12-13-23)19-10-8-7-9-11-19)16-18-15-25-20(14-24)27-21(18)26-17-22(2,3)4/h7-11,15H,6,12-13,16-17H2,1-5H3,(H,25,26,27)/q+1