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

Systemtic Name: 9-(4-tert-butylphenyl)-2-(2-methylpropyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-isobutyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-2-(2-methylpropyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-2-isobutyl-8-keto-7H-purine-6-carboxamide Formula: C20H25N5O2 MolecularWeight: 367.4448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

Isomeric SMILES

CC(C)CC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C20H25N5O2/c1-11(2)10-14-22-15(17(21)26)16-18(23-14)25(19(27)24-16)13-8-6-12(7-9-13)20(3,4)5/h6-9,11H,10H2,1-5H3,(H2,21,26)(H,24,27)