7-[[3-(2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[3-(2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[3-(2,4-dimethoxyphenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[3-(2,4-dimethoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[3-(2,4-dimethoxyphenyl)-2-isoxazolin-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C19H21N5O5 MolecularWeight: 399.40054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3CC(=NO3)C4=C(C=C(C=C4)OC)OC

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3CC(=NO3)C4=C(C=C(C=C4)OC)OC

InChI

InChI=1S/C19H21N5O5/c1-22-17-16(18(25)23(2)19(22)26)24(10-20-17)9-12-7-14(21-29-12)13-6-5-11(27-3)8-15(13)28-4/h5-6,8,10,12H,7,9H2,1-4H3