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

Systemtic Name: 8-bromanyl-9-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[[2-(3-methoxyphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[[2-(3-methoxyphenyl)-4-thiazolyl]methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[[2-(3-methoxyphenyl)thiazol-4-yl]methyl]-1,3-dimethyl-xanthine Formula: C18H16BrN5O3S MolecularWeight: 462.32034

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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(=CC=C4)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN5O3S/c1-22-15-13(16(25)23(2)18(22)26)21-17(19)24(15)8-11-9-28-14(20-11)10-5-4-6-12(7-10)27-3/h4-7,9H,8H2,1-3H3