2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(2-cyclopentyl-3-pyrazolyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C17H20BrN7O3 MolecularWeight: 450.2898

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC=NN3C4CCCC4)Br

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N=C(N2CC(=O)NC3=CC=NN3C4CCCC4)Br

InChI

InChI=1S/C17H20BrN7O3/c1-22-14-13(15(27)23(2)17(22)28)21-16(18)24(14)9-12(26)20-11-7-8-19-25(11)10-5-3-4-6-10/h7-8,10H,3-6,9H2,1-2H3,(H,20,26)