8-bromanyl-9-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-bromanyl-9-[2-(2,5-dimethyl-1-propan-2-yl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-bromo-9-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-bromo-9-[2-(2,5-dimethyl-1-propan-2-yl-3-pyrrolyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-bromo-9-[2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-bromo-9-[2-(1-isopropyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-1,3-dimethyl-xanthine Formula: C18H22BrN5O3 MolecularWeight: 436.30298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C(C)C)C)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

Isomeric SMILES

CC1=CC(=C(N1C(C)C)C)C(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br

InChI

InChI=1S/C18H22BrN5O3/c1-9(2)24-10(3)7-12(11(24)4)13(25)8-23-15-14(20-17(23)19)16(26)22(6)18(27)21(15)5/h7,9H,8H2,1-6H3