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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[5-(2-thienyl)isoxazol-3-yl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[(5-thiophen-2-yl-3-isoxazolyl)methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[[5-(2-thienyl)isoxazol-3-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=NOC(=C3)C4=CC=CS4

Isomeric SMILES

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

InChI

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