5-[(3-bromophenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[(3-bromophenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(3-bromophenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(3-bromophenyl)methylthio]-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(3-bromophenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(3-bromobenzyl)thio]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H21BrN4O2S MolecularWeight: 449.36464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC2=C(C(=N1)SCC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)(C)C1=NC2=C(C(=N1)SCC3=CC(=CC=C3)Br)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H21BrN4O2S/c1-19(2,3)17-21-14-13(16(25)24(5)18(26)23(14)4)15(22-17)27-10-11-7-6-8-12(20)9-11/h6-9H,10H2,1-5H3