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

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Openeye Name: 8-(allylamino)-7-(2,3-dihydroxypropyl)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dimethyl-8-(prop-2-enylamino)purine-2,6-dione Traditional Name: 8-(allylamino)-7-glyceryl-1,3-dimethyl-xanthine Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O4/c1-4-5-14-12-15-10-9(18(12)6-8(20)7-19)11(21)17(3)13(22)16(10)2/h4,8,19-20H,1,5-7H2,2-3H3,(H,14,15)