N-[(E)-2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethylideneamino]benzamide

Systemtic Name: N-[(E)-2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethylideneamino]benzamide Openeye Name: N-[(E)-2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethylideneamino]benzamide CAS Name: N-[(E)-2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethylideneamino]benzamide IUPAC Name: N-[(E)-2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylideneamino]benzamide Traditional Name: N-[(E)-2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethylideneamino]benzamide Formula: C15H13BrN6O3 MolecularWeight: 405.20612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CC=NNC(=O)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)C/C=N/NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H13BrN6O3/c1-21-11-10(13(24)19-15(21)25)22(14(16)18-11)8-7-17-20-12(23)9-5-3-2-4-6-9/h2-7H,8H2,1H3,(H,20,23)(H,19,24,25)/b17-7+