N-(1,3-benzodioxol-5-yl)-2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)acetamide Formula: C16H14BrN5O5 MolecularWeight: 436.21686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC4=C(C=C3)OCO4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC4=C(C=C3)OCO4)Br

InChI

InChI=1S/C16H14BrN5O5/c1-20-13-12(14(24)21(2)16(20)25)19-15(17)22(13)6-11(23)18-8-3-4-9-10(5-8)27-7-26-9/h3-5H,6-7H2,1-2H3,(H,18,23)