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

Systemtic Name: 3-[1-methyl-2,6-bis(oxidanylidene)-3-propan-2-yl-purin-7-yl]propyl nitrate Openeye Name: 3-(3-isopropyl-1-methyl-2,6-dioxo-purin-7-yl)propyl nitrate CAS Name: nitric acid 3-(1-methyl-2,6-dioxo-3-propan-2-yl-7-purinyl)propyl ester IUPAC Name: 3-(1-methyl-2,6-dioxo-3-propan-2-ylpurin-7-yl)propyl nitrate Traditional Name: nitric acid 3-(3-isopropyl-2,6-diketo-1-methyl-purin-7-yl)propyl ester Formula: C12H17N5O5 MolecularWeight: 311.29388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N5O5/c1-8(2)16-10-9(11(18)14(3)12(16)19)15(7-13-10)5-4-6-22-17(20)21/h7-8H,4-6H2,1-3H3