7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-[2-(3-oxidanylideneindol-2-yl)hydrazinyl]purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-[2-(3-oxidanylideneindol-2-yl)hydrazinyl]purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[2-(3-oxoindol-2-yl)hydrazino]purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[(3-oxo-2-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-[2-(3-oxoindol-2-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-glyceryl-8-[N'-(3-ketoindol-2-yl)hydrazino]-1,3-dimethyl-xanthine Formula: C18H19N7O5 MolecularWeight: 413.38736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=NC4=CC=CC=C4C3=O)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NNC3=NC4=CC=CC=C4C3=O)CC(CO)O

InChI

InChI=1S/C18H19N7O5/c1-23-15-12(16(29)24(2)18(23)30)25(7-9(27)8-26)17(20-15)22-21-14-13(28)10-5-3-4-6-11(10)19-14/h3-6,9,26-27H,7-8H2,1-2H3,(H,20,22)(H,19,21,28)