5-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione

Systemtic Name: 5-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(2-fluorophenyl)methylthio]-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(2-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(2-fluorobenzyl)thio]-1,3-dimethyl-7-(4-nitrophenyl)pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H16FN5O4S MolecularWeight: 453.446243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4F)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=CC=C4F)C(=O)N(C1=O)C

InChI

InChI=1S/C21H16FN5O4S/c1-25-18-16(20(28)26(2)21(25)29)19(32-11-13-5-3-4-6-15(13)22)24-17(23-18)12-7-9-14(10-8-12)27(30)31/h3-10H,11H2,1-2H3