2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide

Systemtic Name: 2-[8-chloranyl-1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(5-methyl-2-phenyl-pyrazol-3-yl)ethanamide Openeye Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide CAS Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxo-7-purinyl)-N-(5-methyl-2-phenyl-3-pyrazolyl)acetamide IUPAC Name: 2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide Traditional Name: 2-(8-chloro-2,6-diketo-1,3-dimethyl-purin-7-yl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)acetamide Formula: C19H18ClN7O3 MolecularWeight: 427.84432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)CN2C3=C(N=C2Cl)N(C(=O)N(C3=O)C)C)C4=CC=CC=C4

InChI

InChI=1S/C19H18ClN7O3/c1-11-9-13(27(23-11)12-7-5-4-6-8-12)21-14(28)10-26-15-16(22-18(26)20)24(2)19(30)25(3)17(15)29/h4-9H,10H2,1-3H3,(H,21,28)