1-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-6-oxidanylidene-7H-purin-2-olate

Systemtic Name: 1-[(4-azanyl-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-6-oxidanylidene-7H-purin-2-olate Openeye Name: 1-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-6-oxo-7H-purin-2-olate CAS Name: 1-[(4-amino-1,2-dimethyl-5-pyrimidin-1-iumyl)methyl]-6-oxo-7H-purin-2-olate IUPAC Name: 1-[(4-amino-1,2-dimethylpyrimidin-1-ium-5-yl)methyl]-6-oxo-7H-purin-2-olate Traditional Name: 1-[(4-amino-1,2-dimethyl-pyrimidin-1-ium-5-yl)methyl]-6-keto-7H-purin-2-olate Formula: C12H13N7O2 MolecularWeight: 287.27732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=N1)N)CN2C(=O)C3=C(N=CN3)N=C2[O-])C

Isomeric SMILES

CC1=[N+](C=C(C(=N1)N)CN2C(=O)C3=C(N=CN3)N=C2[O-])C

InChI

InChI=1S/C12H13N7O2/c1-6-16-9(13)7(3-18(6)2)4-19-11(20)8-10(15-5-14-8)17-12(19)21/h3,5,13H,4H2,1-2H3,(H2,14,15,17,20,21)