3-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile

Systemtic Name: 3-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]propanenitrile Openeye Name: 3-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-7-yl)propanenitrile CAS Name: 3-(8-bromo-1,3-dimethyl-2,6-dioxo-7-purinyl)propanenitrile IUPAC Name: 3-(8-bromo-1,3-dimethyl-2,6-dioxopurin-7-yl)propanenitrile Traditional Name: 3-(8-bromo-2,6-diketo-1,3-dimethyl-purin-7-yl)propionitrile Formula: C10H10BrN5O2 MolecularWeight: 312.1227

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCC#N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Br)CCC#N

InChI

InChI=1S/C10H10BrN5O2/c1-14-7-6(8(17)15(2)10(14)18)16(5-3-4-12)9(11)13-7/h3,5H2,1-2H3