methyl 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanoate

Systemtic Name: methyl 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)-9H-purin-7-ium-7-yl]ethanoate Openeye Name: methyl 2-(8-chloro-1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetate CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetic acid methyl ester IUPAC Name: methyl 2-(8-chloro-1,3-dimethyl-2,6-dioxo-9H-purin-7-ium-7-yl)acetate Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-9H-purin-7-ium-7-yl)acetic acid methyl ester Formula: C10H12ClN4O4+ MolecularWeight: 287.67968

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)Cl)CC(=O)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)[N+](=C(N2)Cl)CC(=O)OC

InChI

InChI=1S/C10H11ClN4O4/c1-13-7-6(8(17)14(2)10(13)18)15(9(11)12-7)4-5(16)19-3/h4H2,1-3H3/p+1