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

Systemtic Name: 7-[(2R)-2,3-bis(oxidanyl)propyl]-8-(hexylamino)-3-methyl-purine-2,6-dione Openeye Name: 7-[(2R)-2,3-dihydroxypropyl]-8-(hexylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2,3-dihydroxypropyl]-8-(hexylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2,3-dihydroxypropyl]-8-(hexylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2,3-dihydroxypropyl]-8-(hexylamino)-3-methyl-xanthine Formula: C15H25N5O4 MolecularWeight: 339.3901

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC(CO)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCCNC1=NC2=C(N1C[C@H](CO)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H25N5O4/c1-3-4-5-6-7-16-14-17-12-11(20(14)8-10(22)9-21)13(23)18-15(24)19(12)2/h10,21-22H,3-9H2,1-2H3,(H,16,17)(H,18,23,24)/t10-/m1/s1