[4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-oxidanyl-butyl] nitrate

Systemtic Name: [4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-3-oxidanyl-butyl] nitrate Openeye Name: [4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-3-hydroxy-butyl] nitrate CAS Name: nitric acid [4-(1,3-dimethyl-2,6-dioxo-7-purinyl)-3-hydroxybutyl] ester IUPAC Name: [4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxybutyl] nitrate Traditional Name: nitric acid [4-(2,6-diketo-1,3-dimethyl-purin-7-yl)-3-hydroxy-butyl] ester Formula: C11H15N5O6 MolecularWeight: 313.2667

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N5O6/c1-13-9-8(10(18)14(2)11(13)19)15(6-12-9)5-7(17)3-4-22-16(20)21/h6-7,17H,3-5H2,1-2H3