8-[(E)-2-(3-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(3-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-7-methyl-1,3-dipropyl-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromo-4,5-dimethoxy-phenyl)vinyl]-7-methyl-1,3-dipropyl-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromo-4,5-dimethoxyphenyl)ethenyl]-7-methyl-1,3-dipropylpurine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromo-4,5-dimethoxy-phenyl)vinyl]-7-methyl-1,3-dipropyl-xanthine Formula: C22H27BrN4O4 MolecularWeight: 491.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)C=CC3=CC(=C(C(=C3)Br)OC)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)N(C(=N2)/C=C/C3=CC(=C(C(=C3)Br)OC)OC)C

InChI

InChI=1S/C22H27BrN4O4/c1-6-10-26-20-18(21(28)27(11-7-2)22(26)29)25(3)17(24-20)9-8-14-12-15(23)19(31-5)16(13-14)30-4/h8-9,12-13H,6-7,10-11H2,1-5H3/b9-8+