8-(2-dimethylaminoethylamino)-3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(2R)-3-(4-nitrophenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-xanthine Formula: C19H25N7O6 MolecularWeight: 447.4451

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)CC(COC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCN(C)C)C[C@H](COC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C19H25N7O6/c1-23(2)9-8-20-18-21-16-15(17(28)22-19(29)24(16)3)25(18)10-13(27)11-32-14-6-4-12(5-7-14)26(30)31/h4-7,13,27H,8-11H2,1-3H3,(H,20,21)(H,22,28,29)/t13-/m1/s1