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

Systemtic Name: 5-methyl-N2-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-1-ium-2,4-diamine Openeye Name: 5-methyl-N2-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-1-ium-2,4-diamine CAS Name: 5-methyl-N2-[(1-phenyl-4-pyrazolyl)methyl]pyrimidin-1-ium-2,4-diamine IUPAC Name: 5-methyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pyrimidin-1-ium-2,4-diamine Traditional Name: (4-amino-5-methyl-pyrimidin-1-ium-2-yl)-[(1-phenylpyrazol-4-yl)methyl]amine Formula: C15H17N6+ MolecularWeight: 281.33568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6/c1-11-7-17-15(20-14(11)16)18-8-12-9-19-21(10-12)13-5-3-2-4-6-13/h2-7,9-10H,8H2,1H3,(H3,16,17,18,20)/p+1