2-[1-methyl-2,6-bis(oxidanylidene)-3-propan-2-yl-purin-7-yl]ethyl nitrate

Systemtic Name: 2-[1-methyl-2,6-bis(oxidanylidene)-3-propan-2-yl-purin-7-yl]ethyl nitrate Openeye Name: 2-(3-isopropyl-1-methyl-2,6-dioxo-purin-7-yl)ethyl nitrate CAS Name: nitric acid 2-(1-methyl-2,6-dioxo-3-propan-2-yl-7-purinyl)ethyl ester IUPAC Name: 2-(1-methyl-2,6-dioxo-3-propan-2-ylpurin-7-yl)ethyl nitrate Traditional Name: nitric acid 2-(3-isopropyl-2,6-diketo-1-methyl-purin-7-yl)ethyl ester Formula: C11H15N5O5 MolecularWeight: 297.2673

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)C)N(C=N2)CCO[N+](=O)[O-]

InChI

InChI=1S/C11H15N5O5/c1-7(2)15-9-8(10(17)13(3)11(15)18)14(6-12-9)4-5-21-16(19)20/h6-7H,4-5H2,1-3H3