8-(diethylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione

Systemtic Name: 8-(diethylamino)-3-methyl-7-(2-oxidanyl-3-propan-2-yloxy-propyl)purine-2,6-dione Openeye Name: 8-(diethylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-(2-hydroxy-3-propan-2-yloxypropyl)-3-methylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-(2-hydroxy-3-isopropoxy-propyl)-3-methyl-xanthine Formula: C16H27N5O4 MolecularWeight: 353.41668

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1CC(COC(C)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H27N5O4/c1-6-20(7-2)15-17-13-12(14(23)18-16(24)19(13)5)21(15)8-11(22)9-25-10(3)4/h10-11,22H,6-9H2,1-5H3,(H,18,23,24)