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

Systemtic Name: 3-[1,7-dimethyl-8-nitro-2,6-bis(oxidanylidene)purin-3-yl]propanal Openeye Name: 3-(1,7-dimethyl-8-nitro-2,6-dioxo-purin-3-yl)propanal CAS Name: 3-(1,7-dimethyl-8-nitro-2,6-dioxo-3-purinyl)propanal IUPAC Name: 3-(1,7-dimethyl-8-nitro-2,6-dioxopurin-3-yl)propanal Traditional Name: 3-(2,6-diketo-1,7-dimethyl-8-nitro-purin-3-yl)propionaldehyde Formula: C10H11N5O5 MolecularWeight: 281.22484

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)CCC=O

Isomeric SMILES

CN1C2=C(N=C1[N+](=O)[O-])N(C(=O)N(C2=O)C)CCC=O

InChI

InChI=1S/C10H11N5O5/c1-12-6-7(11-9(12)15(19)20)14(4-3-5-16)10(18)13(2)8(6)17/h5H,3-4H2,1-2H3