5-[(6-chloranylpurin-9-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate

Systemtic Name: 5-[(6-chloranylpurin-9-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate Openeye Name: 5-[(6-chloropurin-9-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine perchlorate CAS Name: 5-[(6-chloro-9-purinyl)methyl]-1,2-dimethyl-4-pyrimidin-1-iumamine perchlorate IUPAC Name: 5-[(6-chloropurin-9-yl)methyl]-1,2-dimethylpyrimidin-1-ium-4-amine perchlorate Traditional Name: [5-[(6-chloropurin-9-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-yl]amine perchlorate Formula: C12H13Cl2N7O4 MolecularWeight: 390.18212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CN2C=NC3=C2N=CN=C3Cl)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CN2C=NC3=C2N=CN=C3Cl)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C12H12ClN7.ClHO4/c1-7-18-11(14)8(3-19(7)2)4-20-6-17-9-10(13)15-5-16-12(9)20;2-1(3,4)5/h3,5-6,14H,4H2,1-2H3;(H,2,3,4,5)