3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-(propan-2-ylamino)purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-(propan-2-ylamino)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-8-(isopropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(propan-2-ylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(propan-2-ylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-8-(isopropylamino)-3-methyl-xanthine Formula: C15H25N5O4 MolecularWeight: 339.3901

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)NC1=NC2=C(N1C[C@@H](COC(C)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C15H25N5O4/c1-8(2)16-14-17-12-11(13(22)18-15(23)19(12)5)20(14)6-10(21)7-24-9(3)4/h8-10,21H,6-7H2,1-5H3,(H,16,17)(H,18,22,23)/t10-/m0/s1