7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-1,3-dimethyl-8-(methylamino)xanthine Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CNC1=NC2=C(N1CC(COC3=CC=C(C=C3)OC)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C18H23N5O5/c1-19-17-20-15-14(16(25)22(3)18(26)21(15)2)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,19,20)