4-[2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethanoyl]benzenecarbonitrile Openeye Name: 4-[2-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)acetyl]benzonitrile CAS Name: 4-[2-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)acetyl]benzonitrile Traditional Name: 4-[2-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)acetyl]benzonitrile Formula: C15H10BrN5O3 MolecularWeight: 388.1756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H10BrN5O3/c1-20-12-11(13(23)19-15(20)24)21(14(16)18-12)7-10(22)9-4-2-8(6-17)3-5-9/h2-5H,7H2,1H3,(H,19,23,24)