8-bromanyl-1,3-dimethyl-9-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[[2-(2-thienyl)thiazol-4-yl]methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[(2-thiophen-2-yl-4-thiazolyl)methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[[2-(2-thienyl)thiazol-4-yl]methyl]xanthine Formula: C15H12BrN5O2S2 MolecularWeight: 438.32208

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CSC(=N3)C4=CC=CS4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC3=CSC(=N3)C4=CC=CS4)Br

InChI

InChI=1S/C15H12BrN5O2S2/c1-19-12-10(13(22)20(2)15(19)23)18-14(16)21(12)6-8-7-25-11(17-8)9-4-3-5-24-9/h3-5,7H,6H2,1-2H3