N'-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenyl-1,3-dihydropyrazol-2-ium-2-ylidene)methanediamine

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenyl-1,3-dihydropyrazol-2-ium-2-ylidene)methanediamine Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenyl-1,3-dihydropyrazol-2-ium-2-ylidene)methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-(3-phenyl-1,3-dihydropyrazol-2-ium-2-ylidene)methanediamine IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(3-phenyl-1,3-dihydropyrazol-2-ium-2-ylidene)methanediamine Traditional Name: [amino-(5-phenyl-3-pyrazolin-1-ium-1-ylidene)methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C16H19N6+ MolecularWeight: 295.36226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2C(C=CN2)C3=CC=CC=C3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2C(C=CN2)C3=CC=CC=C3)N)C

InChI

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