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

Systemtic Name: 8-[(E)-2-(3-bromanyl-4-methoxy-phenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(3-bromo-4-methoxyphenyl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(3-bromo-4-methoxy-phenyl)vinyl]-1,3-diethyl-7H-purine-2,6-quinone Formula: C18H19BrN4O3 MolecularWeight: 419.27246

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C18H19BrN4O3/c1-4-22-16-15(17(24)23(5-2)18(22)25)20-14(21-16)9-7-11-6-8-13(26-3)12(19)10-11/h6-10H,4-5H2,1-3H3,(H,20,21)/b9-7+