3-(2-tert-butylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione

Systemtic Name: 3-(2-tert-butylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione Openeye Name: 1-benzyl-3-(2-tert-butylphenyl)-7H-purine-2,6-dione CAS Name: 3-(2-tert-butylphenyl)-1-(phenylmethyl)-7H-purine-2,6-dione IUPAC Name: 1-benzyl-3-(2-tert-butylphenyl)-7H-purine-2,6-dione Traditional Name: 1-benzyl-3-(2-tert-butylphenyl)-7H-purine-2,6-quinone Formula: C22H22N4O2 MolecularWeight: 374.43568

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1N2C3=C(C(=O)N(C2=O)CC4=CC=CC=C4)NC=N3

InChI

InChI=1S/C22H22N4O2/c1-22(2,3)16-11-7-8-12-17(16)26-19-18(23-14-24-19)20(27)25(21(26)28)13-15-9-5-4-6-10-15/h4-12,14H,13H2,1-3H3,(H,23,24)