8-bromanyl-9-[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[2-[2,4-di(propan-2-yl)phenyl]-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[2-(2,4-diisopropylphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[2-[2,4-di(propan-2-yl)phenyl]-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[2-(2,4-diisopropylphenyl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C21H25BrN4O3 MolecularWeight: 461.3522

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C=C1)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C(C)C

InChI

InChI=1S/C21H25BrN4O3/c1-11(2)13-7-8-14(15(9-13)12(3)4)16(27)10-26-18-17(23-20(26)22)19(28)25(6)21(29)24(18)5/h7-9,11-12H,10H2,1-6H3