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

Systemtic Name: 7-[[3-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[3-(4-dimethylaminophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[3-(4-dimethylaminophenyl)-4,5-dihydroisoxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[3-(4-dimethylaminophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[3-(4-dimethylaminophenyl)-2-isoxazolin-5-yl]methyl]-1,3-dimethyl-xanthine Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O3/c1-22(2)13-7-5-12(6-8-13)15-9-14(28-21-15)10-25-11-20-17-16(25)18(26)24(4)19(27)23(17)3/h5-8,11,14H,9-10H2,1-4H3