7-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-8-(dimethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-(2-chloranylphenoxy)-2-oxidanyl-propyl]-8-(dimethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-8-(dimethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-8-(dimethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[3-(2-chlorophenoxy)-2-hydroxypropyl]-8-(dimethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[3-(2-chlorophenoxy)-2-hydroxy-propyl]-8-(dimethylamino)-1,3-dimethyl-xanthine Formula: C18H22ClN5O4 MolecularWeight: 407.85138

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC(COC3=CC=CC=C3Cl)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CC(COC3=CC=CC=C3Cl)O

InChI

InChI=1S/C18H22ClN5O4/c1-21(2)17-20-15-14(16(26)23(4)18(27)22(15)3)24(17)9-11(25)10-28-13-8-6-5-7-12(13)19/h5-8,11,25H,9-10H2,1-4H3