8-bromanyl-1,3-dimethyl-9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-1,3-dimethyl-9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Openeye Name: 8-bromo-1,3-dimethyl-9-[[2-(5-methyl-2-furyl)thiazol-4-yl]methyl]purine-2,6-dione CAS Name: 8-bromo-1,3-dimethyl-9-[[2-(5-methyl-2-furanyl)-4-thiazolyl]methyl]purine-2,6-dione IUPAC Name: 8-bromo-1,3-dimethyl-9-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]purine-2,6-dione Traditional Name: 8-bromo-1,3-dimethyl-9-[[2-(5-methyl-2-furyl)thiazol-4-yl]methyl]xanthine Formula: C16H14BrN5O3S MolecularWeight: 436.28306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=CS2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=CS2)CN3C4=C(C(=O)N(C(=O)N4C)C)N=C3Br

InChI

InChI=1S/C16H14BrN5O3S/c1-8-4-5-10(25-8)12-18-9(7-26-12)6-22-13-11(19-15(22)17)14(23)21(3)16(24)20(13)2/h4-5,7H,6H2,1-3H3