8-chloranyl-7-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-chloranyl-7-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-chloro-7-[[5-(2-furyl)isoxazol-3-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-chloro-7-[[5-(2-furanyl)-3-isoxazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-chloro-7-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-chloro-7-[[5-(2-furyl)isoxazol-3-yl]methyl]-1,3-dimethyl-xanthine Formula: C15H12ClN5O4 MolecularWeight: 361.73988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NOC(=C3)C4=CC=CO4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=NOC(=C3)C4=CC=CO4

InChI

InChI=1S/C15H12ClN5O4/c1-19-12-11(13(22)20(2)15(19)23)21(14(16)17-12)7-8-6-10(25-18-8)9-4-3-5-24-9/h3-6H,7H2,1-2H3