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

Systemtic Name: 3-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-amine perchlorate Openeye Name: 3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-amine perchlorate CAS Name: 3-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-6-purinamine perchlorate IUPAC Name: 3-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]purin-6-amine perchlorate Traditional Name: [3-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-yl]amine perchlorate Formula: C12H15ClN8O4 MolecularWeight: 370.7517

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CN2C=NC(=C3C2=NC=N3)N)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CN2C=NC(=C3C2=NC=N3)N)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H14N8.ClHO4/c1-7-18-10(13)8(3-19(7)2)4-20-6-17-11(14)9-12(20)16-5-15-9;2-1(3,4)5/h3,5-6,13H,4H2,1-2H3,(H2,14,15,16);(H,2,3,4,5)