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

Systemtic Name: 7-[2,3-bis(oxidanyl)propyl]-8-(cyclohexylamino)-3-methyl-purine-2,6-dione Openeye Name: 8-(cyclohexylamino)-7-(2,3-dihydroxypropyl)-3-methyl-purine-2,6-dione CAS Name: 8-(cyclohexylamino)-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(cyclohexylamino)-7-(2,3-dihydroxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(cyclohexylamino)-7-glyceryl-3-methyl-xanthine Formula: C15H23N5O4 MolecularWeight: 337.37422

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(CO)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CC(CO)O

InChI

InChI=1S/C15H23N5O4/c1-19-12-11(13(23)18-15(19)24)20(7-10(22)8-21)14(17-12)16-9-5-3-2-4-6-9/h9-10,21-22H,2-8H2,1H3,(H,16,17)(H,18,23,24)