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

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-glyceryl-1,3-dimethyl-8-(phenethylamino)xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=CC=C3)CC(CO)O

InChI

InChI=1S/C18H23N5O4/c1-21-15-14(16(26)22(2)18(21)27)23(10-13(25)11-24)17(20-15)19-9-8-12-6-4-3-5-7-12/h3-7,13,24-25H,8-11H2,1-2H3,(H,19,20)