2-[(4-bromophenyl)methyl]-7-tert-butyl-4-methyl-purino[8,7-b][1,3]oxazole-1,3-dione

Systemtic Name: 2-[(4-bromophenyl)methyl]-7-tert-butyl-4-methyl-purino[8,7-b][1,3]oxazole-1,3-dione Openeye Name: 2-[(4-bromophenyl)methyl]-7-tert-butyl-4-methyl-purino[8,7-b]oxazole-1,3-dione CAS Name: 2-[(4-bromophenyl)methyl]-7-tert-butyl-4-methylpurino[8,7-b]oxazole-1,3-dione IUPAC Name: 2-[(4-bromophenyl)methyl]-7-tert-butyl-4-methylpurino[8,7-b][1,3]oxazole-1,3-dione Traditional Name: 2-(4-bromobenzyl)-7-tert-butyl-4-methyl-purino[8,7-b]oxazole-1,3-quinone Formula: C19H19BrN4O3 MolecularWeight: 431.28316

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC(C)(C)C1=CN2C3=C(N=C2O1)N(C(=O)N(C3=O)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C19H19BrN4O3/c1-19(2,3)13-10-23-14-15(21-17(23)27-13)22(4)18(26)24(16(14)25)9-11-5-7-12(20)8-6-11/h5-8,10H,9H2,1-4H3