7-[2,3-bis(oxidanyl)propyl]-8-(furan-2-ylmethylamino)-3-methyl-purine-2,6-dione

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-8-(furan-2-ylmethylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-(2,3-dihydroxypropyl)-8-(2-furylmethylamino)-3-methyl-purine-2,6-dione CAS Name: 7-(2,3-dihydroxypropyl)-8-(2-furanylmethylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-(2,3-dihydroxypropyl)-8-(furan-2-ylmethylamino)-3-methylpurine-2,6-dione Traditional Name: 8-(2-furfurylamino)-7-glyceryl-3-methyl-xanthine Formula: C14H17N5O5 MolecularWeight: 335.31528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCC3=CC=CO3)CC(CO)O

InChI

InChI=1S/C14H17N5O5/c1-18-11-10(12(22)17-14(18)23)19(6-8(21)7-20)13(16-11)15-5-9-3-2-4-24-9/h2-4,8,20-21H,5-7H2,1H3,(H,15,16)(H,17,22,23)