N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-ylidene)methanediamine

Systemtic Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-ylidene)methanediamine Openeye Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-ylidene)methanediamine CAS Name: N'-(4,6-dimethyl-2-pyrimidinyl)-1-[4-(2-pyrimidinyl)-1-piperazin-1-iumylidene]methanediamine IUPAC Name: N'-(4,6-dimethylpyrimidin-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-ium-1-ylidene)methanediamine Traditional Name: [amino-[4-(2-pyrimidyl)piperazin-1-ium-1-ylidene]methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C15H21N8+ MolecularWeight: 313.38084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)C3=NC=CC=N3)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCN(CC2)C3=NC=CC=N3)N)C

InChI

InChI=1S/C15H20N8/c1-11-10-12(2)20-14(19-11)21-13(16)22-6-8-23(9-7-22)15-17-4-3-5-18-15/h3-5,10H,6-9H2,1-2H3,(H2,16,19,20,21)/p+1