8-diazanyl-3-methyl-7-[(1S)-3-(4-nitrophenoxy)-1-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-diazanyl-3-methyl-7-[(1S)-3-(4-nitrophenoxy)-1-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-hydrazino-7-[(1S)-1-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-hydrazinyl-7-[(1S)-1-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-hydrazinyl-7-[(1S)-1-hydroxy-3-(4-nitrophenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-hydrazino-7-[(1S)-1-hydroxy-3-(4-nitrophenoxy)propyl]-3-methyl-xanthine Formula: C15H17N7O6 MolecularWeight: 391.33878

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)C(CCOC3=CC=C(C=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NN)[C@H](CCOC3=CC=C(C=C3)[N+](=O)[O-])O

InChI

InChI=1S/C15H17N7O6/c1-20-12-11(13(24)18-15(20)25)21(14(17-12)19-16)10(23)6-7-28-9-4-2-8(3-5-9)22(26)27/h2-5,10,23H,6-7,16H2,1H3,(H,17,19)(H,18,24,25)/t10-/m0/s1