9-(4-tert-butylphenyl)-2-(3-chlorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-2-(3-chlorophenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-(3-chlorophenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-2-(3-chlorophenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-2-(3-chlorophenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-2-(3-chlorophenyl)-8-keto-7H-purine-6-carboxamide Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)N2C3=NC(=NC(=C3NC2=O)C(=O)N)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H20ClN5O2/c1-22(2,3)13-7-9-15(10-8-13)28-20-17(26-21(28)30)16(18(24)29)25-19(27-20)12-5-4-6-14(23)11-12/h4-11H,1-3H3,(H2,24,29)(H,26,30)