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

Systemtic Name: 7-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[5-(2-furyl)isoxazol-3-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[5-(2-furanyl)-3-isoxazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[5-(2-furyl)isoxazol-3-yl]methyl]-1,3-dimethyl-xanthine Formula: C15H13N5O4 MolecularWeight: 327.29482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13N5O4/c1-18-13-12(14(21)19(2)15(18)22)20(8-16-13)7-9-6-11(24-17-9)10-4-3-5-23-10/h3-6,8H,7H2,1-2H3