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

Systemtic Name: 8-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1,3-dipropyl-7H-purine-2,6-quinone Formula: C20H23BrN4O3 MolecularWeight: 447.32562

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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=C3)OC)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O3/c1-4-10-24-18-17(19(26)25(11-5-2)20(24)27)22-16(23-18)9-7-13-6-8-15(28-3)14(21)12-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,22,23)/b9-7+