2-azanyl-1,7-bis[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-one diperchlorate dihydrate

Systemtic Name: 2-azanyl-1,7-bis[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-one diperchlorate dihydrate Openeye Name: 2-amino-1,7-bis[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-one diperchlorate dihydrate CAS Name: 2-amino-1,7-bis[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-6-purinone diperchlorate dihydrate IUPAC Name: 2-amino-1,7-bis[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]purin-6-one diperchlorate dihydrate Traditional Name: 2-amino-1,7-bis[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-one diperchlorate dihydrate Formula: C19H29Cl2N11O11 MolecularWeight: 658.40666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CN2C=NC3=C2C(=O)N(C(=N3)N)CC4=C[N+](=C(N=C4N)C)C)C.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CN2C=NC3=C2C(=O)N(C(=N3)N)CC4=C[N+](=C(N=C4N)C)C)C.O.O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C19H23N11O.2ClHO4.2H2O/c1-10-24-15(20)12(5-27(10)3)7-29-9-23-17-14(29)18(31)30(19(22)26-17)8-13-6-28(4)11(2)25-16(13)21;2*2-1(3,4)5;;/h5-6,9,20-21H,7-8H2,1-4H3,(H2,22,26,31);2*(H,2,3,4,5);2*1H2