N-(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide

Systemtic Name: N-(5-tert-butyl-3-chloranyl-2-oxidanyl-phenyl)-2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-9-yl]ethanamide Openeye Name: N-(5-tert-butyl-3-chloro-2-hydroxy-phenyl)-2-(1,3-dimethyl-2,6-dioxo-purin-9-yl)acetamide CAS Name: N-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-2-(1,3-dimethyl-2,6-dioxo-9-purinyl)acetamide IUPAC Name: N-(5-tert-butyl-3-chloro-2-hydroxyphenyl)-2-(1,3-dimethyl-2,6-dioxopurin-9-yl)acetamide Traditional Name: N-(5-tert-butyl-3-chloro-2-hydroxy-phenyl)-2-(2,6-diketo-1,3-dimethyl-purin-9-yl)acetamide Formula: C19H22ClN5O4 MolecularWeight: 419.86208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)Cl)O)NC(=O)CN2C=NC3=C2N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H22ClN5O4/c1-19(2,3)10-6-11(20)15(27)12(7-10)22-13(26)8-25-9-21-14-16(25)23(4)18(29)24(5)17(14)28/h6-7,9,27H,8H2,1-5H3,(H,22,26)