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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[2-(2-thienyl)oxazol-4-yl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(2-thiophen-2-yl-4-oxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[[2-(2-thienyl)oxazol-4-yl]methyl]xanthine Formula: C15H12ClN5O3S MolecularWeight: 377.80548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12ClN5O3S/c1-19-11-10(13(22)20(2)15(19)23)21(14(16)18-11)6-8-7-24-12(17-8)9-4-3-5-25-9/h3-5,7H,6H2,1-2H3