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

Systemtic Name: 7-[3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Openeye Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(phenethylamino)purine-2,6-dione CAS Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(phenethylamino)purine-2,6-dione IUPAC Name: 7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(phenethylamino)purine-2,6-dione Traditional Name: 7-[3-(4-chlorophenoxy)-2-hydroxy-propyl]-3-methyl-8-(phenethylamino)xanthine Formula: C23H24ClN5O4 MolecularWeight: 469.92076

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)Cl)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)Cl)O

InChI

InChI=1S/C23H24ClN5O4/c1-28-20-19(21(31)27-23(28)32)29(13-17(30)14-33-18-9-7-16(24)8-10-18)22(26-20)25-12-11-15-5-3-2-4-6-15/h2-10,17,30H,11-14H2,1H3,(H,25,26)(H,27,31,32)