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

Systemtic Name: 7-[3-(4-methoxyphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(methylamino)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-3-methyl-8-(methylamino)xanthine Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O5/c1-18-16-19-14-13(15(24)20-17(25)21(14)2)22(16)8-10(23)9-27-12-6-4-11(26-3)5-7-12/h4-7,10,23H,8-9H2,1-3H3,(H,18,19)(H,20,24,25)