1-[2,3-bis(oxidanyl)propyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione

Systemtic Name: 1-[2,3-bis(oxidanyl)propyl]-3-methyl-7-prop-2-enyl-purine-2,6-dione Openeye Name: 7-allyl-1-(2,3-dihydroxypropyl)-3-methyl-purine-2,6-dione CAS Name: 1-(2,3-dihydroxypropyl)-3-methyl-7-prop-2-enylpurine-2,6-dione IUPAC Name: 1-(2,3-dihydroxypropyl)-3-methyl-7-prop-2-enylpurine-2,6-dione Traditional Name: 7-allyl-1-glyceryl-3-methyl-xanthine Formula: C12H16N4O4 MolecularWeight: 280.27984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O4/c1-3-4-15-7-13-10-9(15)11(19)16(5-8(18)6-17)12(20)14(10)2/h3,7-8,17-18H,1,4-6H2,2H3