8-bromanyl-3-methyl-7-[2-(2-methyl-5-oxidanyl-phenyl)-2-oxidanylidene-ethyl]purine-2,6-dione

Systemtic Name: 8-bromanyl-3-methyl-7-[2-(2-methyl-5-oxidanyl-phenyl)-2-oxidanylidene-ethyl]purine-2,6-dione Openeye Name: 8-bromo-7-[2-(5-hydroxy-2-methyl-phenyl)-2-oxo-ethyl]-3-methyl-purine-2,6-dione CAS Name: 8-bromo-7-[2-(5-hydroxy-2-methylphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione IUPAC Name: 8-bromo-7-[2-(5-hydroxy-2-methylphenyl)-2-oxoethyl]-3-methylpurine-2,6-dione Traditional Name: 8-bromo-7-[2-(5-hydroxy-2-methyl-phenyl)-2-keto-ethyl]-3-methyl-xanthine Formula: C15H13BrN4O4 MolecularWeight: 393.19212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)O)C(=O)CN2C3=C(N=C2Br)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=C(C=C(C=C1)O)C(=O)CN2C3=C(N=C2Br)N(C(=O)NC3=O)C

InChI

InChI=1S/C15H13BrN4O4/c1-7-3-4-8(21)5-9(7)10(22)6-20-11-12(17-14(20)16)19(2)15(24)18-13(11)23/h3-5,21H,6H2,1-2H3,(H,18,23,24)