8-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione

Systemtic Name: 8-[(E)-2-(6-bromanyl-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Openeye Name: 8-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-1,3-diethyl-7H-purine-2,6-dione CAS Name: 8-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione IUPAC Name: 8-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)ethenyl]-1,3-diethyl-7H-purine-2,6-dione Traditional Name: 8-[(E)-2-(6-bromo-1,3-benzodioxol-5-yl)vinyl]-1,3-diethyl-7H-purine-2,6-quinone Formula: C18H17BrN4O4 MolecularWeight: 433.25598

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)C=CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)NC(=N2)/C=C/C3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C18H17BrN4O4/c1-3-22-16-15(17(24)23(4-2)18(22)25)20-14(21-16)6-5-10-7-12-13(8-11(10)19)27-9-26-12/h5-8H,3-4,9H2,1-2H3,(H,20,21)/b6-5+