5-methyl-N2-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]pyrimidin-1-ium-2,4-diamine

Systemtic Name: 5-methyl-N2-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]pyrimidin-1-ium-2,4-diamine Openeye Name: 5-methyl-N2-[[1-(m-tolyl)pyrazol-4-yl]methyl]pyrimidin-1-ium-2,4-diamine CAS Name: 5-methyl-N2-[[1-(3-methylphenyl)-4-pyrazolyl]methyl]pyrimidin-1-ium-2,4-diamine IUPAC Name: 5-methyl-2-N-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]pyrimidin-1-ium-2,4-diamine Traditional Name: (4-amino-5-methyl-pyrimidin-1-ium-2-yl)-[[1-(m-tolyl)pyrazol-4-yl]methyl]amine Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C=N2)CNC3=[NH+]C=C(C(=N3)N)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C=N2)CNC3=[NH+]C=C(C(=N3)N)C

InChI

InChI=1S/C16H18N6/c1-11-4-3-5-14(6-11)22-10-13(9-20-22)8-19-16-18-7-12(2)15(17)21-16/h3-7,9-10H,8H2,1-2H3,(H3,17,18,19,21)/p+1