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

Systemtic Name: 2-[8-bromanyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-purin-9-yl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxo-9-purinyl)-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(8-bromo-1,3-dimethyl-2,6-dioxopurin-9-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(8-bromo-2,6-diketo-1,3-dimethyl-purin-9-yl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C19H18BrN7O3 MolecularWeight: 472.29532

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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)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2C3=C(C(=O)N(C(=O)N3C)C)N=C2Br)C4=CC=CC=C4

InChI

InChI=1S/C19H18BrN7O3/c1-11-9-13(27(23-11)12-7-5-4-6-8-12)21-14(28)10-26-16-15(22-18(26)20)17(29)25(3)19(30)24(16)2/h4-9H,10H2,1-3H3,(H,21,28)