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

Systemtic Name: 8-chloranyl-1,3-dimethyl-7-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-chloro-1,3-dimethyl-7-[[2-(3-thienyl)thiazol-4-yl]methyl]purine-2,6-dione CAS Name: 8-chloro-1,3-dimethyl-7-[[2-(3-thiophenyl)-4-thiazolyl]methyl]purine-2,6-dione IUPAC Name: 8-chloro-1,3-dimethyl-7-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-chloro-1,3-dimethyl-7-[[2-(3-thienyl)thiazol-4-yl]methyl]xanthine Formula: C15H12ClN5O2S2 MolecularWeight: 393.87108

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CSC(=N3)C4=CSC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CSC(=N3)C4=CSC=C4

InChI

InChI=1S/C15H12ClN5O2S2/c1-19-11-10(13(22)20(2)15(19)23)21(14(16)18-11)5-9-7-25-12(17-9)8-3-4-24-6-8/h3-4,6-7H,5H2,1-2H3