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

Systemtic Name: 1-(azepan-1-ium-1-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine Openeye Name: 1-(azepan-1-ium-1-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine CAS Name: 1-(1-azepan-1-iumylidene)-N'-(4,6-dimethyl-2-pyrimidinyl)methanediamine IUPAC Name: 1-(azepan-1-ium-1-ylidene)-N'-(4,6-dimethylpyrimidin-2-yl)methanediamine Traditional Name: [amino(azepan-1-ium-1-ylidene)methyl]-(4,6-dimethylpyrimidin-2-yl)amine Formula: C13H22N5+ MolecularWeight: 248.34728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=[N+]2CCCCCC2)N)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=[N+]2CCCCCC2)N)C

InChI

InChI=1S/C13H21N5/c1-10-9-11(2)16-13(15-10)17-12(14)18-7-5-3-4-6-8-18/h9H,3-8H2,1-2H3,(H2,14,15,16,17)/p+1