8-(diethylamino)-3-methyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 8-(diethylamino)-3-methyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 8-(diethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(diethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(diethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(diethylamino)-7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC2=C(N1CC(COC3=CC=C(C=C3)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)C1=NC2=C(N1C[C@H](COC3=CC=C(C=C3)C)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C20H27N5O4/c1-5-24(6-2)19-21-17-16(18(27)22-20(28)23(17)4)25(19)11-14(26)12-29-15-9-7-13(3)8-10-15/h7-10,14,26H,5-6,11-12H2,1-4H3,(H,22,27,28)/t14-/m1/s1