3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-amine

Systemtic Name: 3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-amine Openeye Name: 3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-amine CAS Name: 3-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-6-purinamine IUPAC Name: 3-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]purin-6-amine Traditional Name: [3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-yl]amine Formula: C12H15N8+ MolecularWeight: 271.3011

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CN2C=NC(=C3C2=NC=N3)N)C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CN2C=NC(=C3C2=NC=N3)N)C

InChI

InChI=1S/C12H14N8/c1-7-18-10(13)8(3-19(7)2)4-20-6-17-11(14)9-12(20)16-5-15-9/h3,5-6,13H,4H2,1-2H3,(H2,14,15,16)/p+1