3-[1,3-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-7-yl]propyl hydrogen sulfate

Systemtic Name: 3-[1,3-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-7-yl]propyl hydrogen sulfate Openeye Name: 3-(1,3-dimethyl-8-nitro-2,6-dioxo-purin-7-yl)propyl hydrogen sulfate CAS Name: sulfuric acid 3-(1,3-dimethyl-8-nitro-2,6-dioxo-7-purinyl)propyl ester IUPAC Name: 3-(1,3-dimethyl-8-nitro-2,6-dioxopurin-7-yl)propyl hydrogen sulfate Traditional Name: sulfuric acid 3-(2,6-diketo-1,3-dimethyl-8-nitro-purin-7-yl)propyl ester Formula: C10H13N5O8S MolecularWeight: 363.30392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCCOS(=O)(=O)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)[N+](=O)[O-])CCCOS(=O)(=O)O

InChI

InChI=1S/C10H13N5O8S/c1-12-7-6(8(16)13(2)10(12)17)14(9(11-7)15(18)19)4-3-5-23-24(20,21)22/h3-5H2,1-2H3,(H,20,21,22)