4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyrimidin-2-amine

Systemtic Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyrimidin-2-amine Openeye Name: 4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyrimidin-2-amine CAS Name: 4-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]-2-pyrimidinamine IUPAC Name: 4-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]pyrimidin-2-amine Traditional Name: [4-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)pyrimidin-2-yl]-[(3-methyl-1H-imidazol-3-ium-2-yl)methyl]amine Formula: C20H22N7+ MolecularWeight: 360.43558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)NCC4=[N+](C=CN4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C3=NC(=NC=C3)NCC4=[N+](C=CN4)C

InChI

InChI=1S/C20H21N7/c1-14-19(15(2)27(25-14)16-7-5-4-6-8-16)17-9-10-22-20(24-17)23-13-18-21-11-12-26(18)3/h4-12H,13H2,1-3H3,(H,22,23,24)/p+1