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

Systemtic Name: 2-azanyl-1,7-bis[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-one Openeye Name: 2-amino-1,7-bis[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-one CAS Name: 2-amino-1,7-bis[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-6-purinone IUPAC Name: 2-amino-1,7-bis[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]purin-6-one Traditional Name: 2-amino-1,7-bis[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]purin-6-one Formula: C19H25N11O+2 MolecularWeight: 423.4749

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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

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

InChI

InChI=1S/C19H23N11O/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/h5-6,9,20-21H,7-8H2,1-4H3,(H2,22,26,31)/p+2