9-(4-tert-butylphenyl)-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide

Systemtic Name: 9-(4-tert-butylphenyl)-8-oxidanylidene-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Openeye Name: 9-(4-tert-butylphenyl)-2-[(1S)-1-methylbutyl]-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(4-tert-butylphenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide IUPAC Name: 9-(4-tert-butylphenyl)-8-oxo-2-[(2S)-pentan-2-yl]-7H-purine-6-carboxamide Traditional Name: 9-(4-tert-butylphenyl)-8-keto-2-[(1S)-1-methylbutyl]-7H-purine-6-carboxamide Formula: C21H27N5O2 MolecularWeight: 381.47138

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

Isomeric SMILES

CCC[C@H](C)C1=NC(=C2C(=N1)N(C(=O)N2)C3=CC=C(C=C3)C(C)(C)C)C(=O)N

InChI

InChI=1S/C21H27N5O2/c1-6-7-12(2)18-23-15(17(22)27)16-19(25-18)26(20(28)24-16)14-10-8-13(9-11-14)21(3,4)5/h8-12H,6-7H2,1-5H3,(H2,22,27)(H,24,28)/t12-/m0/s1