7-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[[2-(5-bromanyl-2-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]-8-chloranyl-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]-8-chloro-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[[2-(5-bromo-2-methoxyphenyl)-4-thiazolyl]methyl]-8-chloro-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[[2-(5-bromo-2-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-8-chloro-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[[2-(5-bromo-2-methoxy-phenyl)thiazol-4-yl]methyl]-8-chloro-1,3-dimethyl-xanthine Formula: C18H15BrClN5O3S MolecularWeight: 496.7654

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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=C(C=CC(=C4)Br)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrClN5O3S/c1-23-14-13(16(26)24(2)18(23)27)25(17(20)22-14)7-10-8-29-15(21-10)11-6-9(19)4-5-12(11)28-3/h4-6,8H,7H2,1-3H3