7-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-1-methyl-8-nitro-3H-purine-2,6-dione

Systemtic Name: 7-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-1-methyl-8-nitro-3H-purine-2,6-dione Openeye Name: 7-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-1-methyl-8-nitro-3H-purine-2,6-dione CAS Name: 7-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-1-methyl-8-nitro-3H-purine-2,6-dione IUPAC Name: 7-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-1-methyl-8-nitro-3H-purine-2,6-dione Traditional Name: 7-[2-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-1-methyl-8-nitro-xanthine Formula: C13H17N5O6 MolecularWeight: 339.30398

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)CCN2C3=C(NC(=O)N(C3=O)C)N=C2[N+](=O)[O-])C

Isomeric SMILES

CC1(OCC(O1)CCN2C3=C(NC(=O)N(C3=O)C)N=C2[N+](=O)[O-])C

InChI

InChI=1S/C13H17N5O6/c1-13(2)23-6-7(24-13)4-5-17-8-9(14-11(17)18(21)22)15-12(20)16(3)10(8)19/h7H,4-6H2,1-3H3,(H,15,20)