8-(diethylamino)-3-methyl-7-[(2R)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione

Systemtic Name: 8-(diethylamino)-3-methyl-7-[(2R)-2-oxidanyl-2-phenyl-ethyl]purine-2,6-dione Openeye Name: 8-(diethylamino)-7-[(2R)-2-hydroxy-2-phenyl-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-[(2R)-2-hydroxy-2-phenylethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-[(2R)-2-hydroxy-2-phenylethyl]-3-methylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-[(2R)-2-hydroxy-2-phenyl-ethyl]-3-methyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(C3=CC=CC=C3)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1C[C@@H](C3=CC=CC=C3)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C18H23N5O3/c1-4-22(5-2)17-19-15-14(16(25)20-18(26)21(15)3)23(17)11-13(24)12-9-7-6-8-10-12/h6-10,13,24H,4-5,11H2,1-3H3,(H,20,25,26)/t13-/m0/s1