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

Systemtic Name: 5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(3-bromo-4-methoxyphenyl)methylthio]-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-7-tert-butyl-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(3-bromo-4-methoxy-benzyl)thio]-7-tert-butyl-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C20H23BrN4O3S MolecularWeight: 479.39062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23BrN4O3S/c1-20(2,3)18-22-15-14(17(26)25(5)19(27)24(15)4)16(23-18)29-10-11-7-8-13(28-6)12(21)9-11/h7-9H,10H2,1-6H3