8-(dimethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione

Systemtic Name: 8-(dimethylamino)-7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-purine-2,6-dione Openeye Name: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 8-(dimethylamino)-7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-xanthine Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC(COC3=CC=C(C=C3)OC)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N(C)C)CC(COC3=CC=C(C=C3)OC)O

InChI

InChI=1S/C18H23N5O5/c1-21(2)17-19-15-14(16(25)20-18(26)22(15)3)23(17)9-11(24)10-28-13-7-5-12(27-4)6-8-13/h5-8,11,24H,9-10H2,1-4H3,(H,20,25,26)