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

Systemtic Name: 1,3-dimethyl-7-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[5-(2-thienyl)isoxazol-3-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(5-thiophen-2-yl-3-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[5-(2-thienyl)isoxazol-3-yl]methyl]xanthine Formula: C15H13N5O3S MolecularWeight: 343.36042

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=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=NOC(=C3)C4=CC=CS4

InChI

InChI=1S/C15H13N5O3S/c1-18-13-12(14(21)19(2)15(18)22)20(8-16-13)7-9-6-10(23-17-9)11-4-3-5-24-11/h3-6,8H,7H2,1-2H3