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

Systemtic Name: 5-[(6-chloranylpurin-9-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine Openeye Name: 5-[(6-chloropurin-9-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-amine CAS Name: 5-[(6-chloro-9-purinyl)methyl]-1,2-dimethyl-4-pyrimidin-1-iumamine IUPAC Name: 5-[(6-chloropurin-9-yl)methyl]-1,2-dimethylpyrimidin-1-ium-4-amine Traditional Name: [5-[(6-chloropurin-9-yl)methyl]-1,2-dimethyl-pyrimidin-1-ium-4-yl]amine Formula: C12H13ClN7+ MolecularWeight: 290.73152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CN2C=NC3=C2N=CN=C3Cl)C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CN2C=NC3=C2N=CN=C3Cl)C

InChI

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