N-[(E)-2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethylideneamino]pyridine-4-carboxamide

Systemtic Name: N-[(E)-2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethylideneamino]pyridine-4-carboxamide Openeye Name: N-[(E)-2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)ethylideneamino]pyridine-4-carboxamide CAS Name: N-[(E)-2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)ethylideneamino]-4-pyridinecarboxamide IUPAC Name: N-[(E)-2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethylideneamino]pyridine-4-carboxamide Traditional Name: N-[(E)-2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)ethylideneamino]isonicotinamide Formula: C14H12BrN7O3 MolecularWeight: 406.19418

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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=NC=C3

Isomeric SMILES

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

InChI

InChI=1S/C14H12BrN7O3/c1-21-10-9(12(24)19-14(21)25)22(13(15)18-10)7-6-17-20-11(23)8-2-4-16-5-3-8/h2-6H,7H2,1H3,(H,20,23)(H,19,24,25)/b17-6+