6-azanyl-2-(butylamino)-9-[(4-tert-butylphenyl)methyl]-7H-purin-8-one

Systemtic Name: 6-azanyl-2-(butylamino)-9-[(4-tert-butylphenyl)methyl]-7H-purin-8-one Openeye Name: 6-amino-2-(butylamino)-9-[(4-tert-butylphenyl)methyl]-7H-purin-8-one CAS Name: 6-amino-2-(butylamino)-9-[(4-tert-butylphenyl)methyl]-7H-purin-8-one IUPAC Name: 6-amino-2-(butylamino)-9-[(4-tert-butylphenyl)methyl]-7H-purin-8-one Traditional Name: 6-amino-2-(butylamino)-9-(4-tert-butylbenzyl)-7H-purin-8-one Formula: C20H28N6O MolecularWeight: 368.47592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCNC1=NC2=C(C(=N1)N)NC(=O)N2CC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H28N6O/c1-5-6-11-22-18-24-16(21)15-17(25-18)26(19(27)23-15)12-13-7-9-14(10-8-13)20(2,3)4/h7-10H,5-6,11-12H2,1-4H3,(H,23,27)(H3,21,22,24,25)