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

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-1,3-dipropyl-purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-1,3-dipropyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-1,3-dipropylpurine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-1,3-dipropylpurine-2,6-dione Traditional Name: 7-glyceryl-1,3-dipropyl-xanthine Formula: C14H22N4O4 MolecularWeight: 310.34888

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CC(CO)O

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C=N2)CC(CO)O

InChI

InChI=1S/C14H22N4O4/c1-3-5-17-12-11(13(21)18(6-4-2)14(17)22)16(9-15-12)7-10(20)8-19/h9-10,19-20H,3-8H2,1-2H3