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

Systemtic Name: 3-[8-bromanyl-3-methyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-(8-bromo-3-methyl-2,6-dioxo-purin-7-yl)propanenitrile CAS Name: 3-(8-bromo-3-methyl-2,6-dioxo-7-purinyl)propanenitrile IUPAC Name: 3-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)propanenitrile Traditional Name: 3-(8-bromo-2,6-diketo-3-methyl-purin-7-yl)propionitrile Formula: C9H8BrN5O2 MolecularWeight: 298.09612

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)Br)CCC#N

InChI

InChI=1S/C9H8BrN5O2/c1-14-6-5(7(16)13-9(14)17)15(4-2-3-11)8(10)12-6/h2,4H2,1H3,(H,13,16,17)