5-(pyridin-1-ium-1-ylmethyl)pyrimidine-2,4-diamine bromide

Systemtic Name: 5-(pyridin-1-ium-1-ylmethyl)pyrimidine-2,4-diamine bromide Openeye Name: 5-(pyridin-1-ium-1-ylmethyl)pyrimidine-2,4-diamine bromide CAS Name: 5-(1-pyridin-1-iumylmethyl)pyrimidine-2,4-diamine bromide IUPAC Name: 5-(pyridin-1-ium-1-ylmethyl)pyrimidine-2,4-diamine bromide Traditional Name: [2-amino-5-(pyridin-1-ium-1-ylmethyl)pyrimidin-4-yl]amine bromide Formula: C10H12BrN5 MolecularWeight: 282.13978

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CN=C(N=C2N)N.[Br-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CN=C(N=C2N)N.[Br-]

InChI

InChI=1S/C10H12N5.BrH/c11-9-8(6-13-10(12)14-9)7-15-4-2-1-3-5-15;/h1-6H,7H2,(H4,11,12,13,14);1H/q+1;/p-1