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

Systemtic Name: 1,3-dimethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[[2-(2-thienyl)oxazol-4-yl]methyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(2-thiophen-2-yl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[[2-(2-thienyl)oxazol-4-yl]methyl]xanthine Formula: C15H13N5O3S MolecularWeight: 343.36042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=COC(=N3)C4=CC=CS4

InChI

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