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

Systemtic Name: 1,3-dimethyl-8-nitro-7-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-8-nitro-7-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-8-nitro-7-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-nitro-7-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-8-nitro-7-[(2,2,4-trimethyl-1,3-dioxolan-4-yl)methyl]xanthine Formula: C14H19N5O6 MolecularWeight: 353.33056

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OCC(O1)(C)CN2C3=C(N=C2[N+](=O)[O-])N(C(=O)N(C3=O)C)C)C

Isomeric SMILES

CC1(OCC(O1)(C)CN2C3=C(N=C2[N+](=O)[O-])N(C(=O)N(C3=O)C)C)C

InChI

InChI=1S/C14H19N5O6/c1-13(2)24-7-14(3,25-13)6-18-8-9(15-11(18)19(22)23)16(4)12(21)17(5)10(8)20/h6-7H2,1-5H3