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

Systemtic Name: 8-[(E)-2-(2-bromanyl-4,5-dimethoxy-phenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(2-bromo-4,5-dimethoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(2-bromo-4,5-dimethoxy-phenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C21H25BrN4O4 MolecularWeight: 477.3516

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C=CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)/C=C/C3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H25BrN4O4/c1-5-9-25-19-18(20(27)26(10-6-2)21(25)28)23-17(24-19)8-7-13-11-15(29-3)16(30-4)12-14(13)22/h7-8,11-12H,5-6,9-10H2,1-4H3,(H,23,24)/b8-7+