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

Systemtic Name: 9-(4-tert-butylphenyl)-2-hexyl-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-hexyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-2-hexyl-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-2-hexyl-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-2-hexyl-8-keto-7H-purine-6-carboxamide Formula: C22H29N5O2 MolecularWeight: 395.49796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

Isomeric SMILES

CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C22H29N5O2/c1-5-6-7-8-9-16-24-17(19(23)28)18-20(25-16)27(21(29)26-18)15-12-10-14(11-13-15)22(2,3)4/h10-13H,5-9H2,1-4H3,(H2,23,28)(H,26,29)