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

Systemtic Name: 3-[8-bromanyl-3-methyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-1-yl]propanenitrile Openeye Name: 3-(8-bromo-7-isobutyl-3-methyl-2,6-dioxo-purin-1-yl)propanenitrile CAS Name: 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxo-1-purinyl]propanenitrile IUPAC Name: 3-[8-bromo-3-methyl-7-(2-methylpropyl)-2,6-dioxopurin-1-yl]propanenitrile Traditional Name: 3-(8-bromo-7-isobutyl-2,6-diketo-3-methyl-purin-1-yl)propionitrile Formula: C13H16BrN5O2 MolecularWeight: 354.20244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC#N)C

Isomeric SMILES

CC(C)CN1C2=C(N=C1Br)N(C(=O)N(C2=O)CCC#N)C

InChI

InChI=1S/C13H16BrN5O2/c1-8(2)7-19-9-10(16-12(19)14)17(3)13(21)18(11(9)20)6-4-5-15/h8H,4,6-7H2,1-3H3