7-tert-butyl-4-(phenylmethyl)-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 7-tert-butyl-4-(phenylmethyl)-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione Openeye Name: 4-benzyl-7-tert-butyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione CAS Name: 7-tert-butyl-4-(phenylmethyl)-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione IUPAC Name: 4-benzyl-7-tert-butyl-2-propyl-6H-purino[7,8-a]imidazole-1,3-dione Traditional Name: 4-benzyl-7-tert-butyl-2-propyl-6H-purin[7,8-a]imidazole-1,3-quinone Formula: C21H25N5O2 MolecularWeight: 379.4555

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C3N2C=C(N3)C(C)(C)C)N(C1=O)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=C(N=C3N2C=C(N3)C(C)(C)C)N(C1=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O2/c1-5-11-24-18(27)16-17(23-19-22-15(13-25(16)19)21(2,3)4)26(20(24)28)12-14-9-7-6-8-10-14/h6-10,13H,5,11-12H2,1-4H3,(H,22,23)