2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2,5-dimethylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(2,5-dimethylpyrazol-3-yl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(2,5-dimethyl-3-pyrazolyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide Formula: C14H16BrN7O3 MolecularWeight: 410.22594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C

InChI

InChI=1S/C14H16BrN7O3/c1-7-5-8(21(4)18-7)16-9(23)6-22-11-10(17-13(22)15)12(24)20(3)14(25)19(11)2/h5H,6H2,1-4H3,(H,16,23)