7-[3-[(3-methoxyphenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[3-[(3-methoxyphenyl)amino]-2-oxidanyl-propyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(3-methoxyanilino)propyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(3-methoxyanilino)propyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[2-hydroxy-3-(3-methoxyanilino)propyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(m-anisidino)propyl]-1,3-dimethyl-xanthine Formula: C17H21N5O4 MolecularWeight: 359.37974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC(=CC=C3)OC)O

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CNC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C17H21N5O4/c1-20-15-14(16(24)21(2)17(20)25)22(10-19-15)9-12(23)8-18-11-5-4-6-13(7-11)26-3/h4-7,10,12,18,23H,8-9H2,1-3H3