5-methyl-N2-[[1-(phenylmethyl)pyrazol-4-yl]methyl]pyrimidin-1-ium-2,4-diamine

Systemtic Name: 5-methyl-N2-[[1-(phenylmethyl)pyrazol-4-yl]methyl]pyrimidin-1-ium-2,4-diamine Openeye Name: N2-[(1-benzylpyrazol-4-yl)methyl]-5-methyl-pyrimidin-1-ium-2,4-diamine CAS Name: 5-methyl-N2-[[1-(phenylmethyl)-4-pyrazolyl]methyl]pyrimidin-1-ium-2,4-diamine IUPAC Name: 2-N-[(1-benzylpyrazol-4-yl)methyl]-5-methylpyrimidin-1-ium-2,4-diamine Traditional Name: (4-amino-5-methyl-pyrimidin-1-ium-2-yl)-[(1-benzylpyrazol-4-yl)methyl]amine Formula: C16H19N6+ MolecularWeight: 295.36226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[NH+]=C(N=C1N)NCC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C[NH+]=C(N=C1N)NCC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N6/c1-12-7-18-16(21-15(12)17)19-8-14-9-20-22(11-14)10-13-5-3-2-4-6-13/h2-7,9,11H,8,10H2,1H3,(H3,17,18,19,21)/p+1