9-cyclohexyl-8-oxidanylidene-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide

Systemtic Name: 9-cyclohexyl-8-oxidanylidene-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Openeye Name: 9-cyclohexyl-2-(4-isopropylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-cyclohexyl-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide IUPAC Name: 9-cyclohexyl-8-oxo-2-(4-propan-2-ylphenyl)-7H-purine-6-carboxamide Traditional Name: 9-cyclohexyl-8-keto-2-p-cumenyl-7H-purine-6-carboxamide Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4CCCCC4)C(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4CCCCC4)C(=O)N

InChI

InChI=1S/C21H25N5O2/c1-12(2)13-8-10-14(11-9-13)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3,(H2,22,27)(H,24,28)