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

Systemtic Name: 5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 5-[(3-fluorophenyl)methylthio]-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethyl-7-phenylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 5-[(3-fluorobenzyl)thio]-1,3-dimethyl-7-phenyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C21H17FN4O2S MolecularWeight: 408.448683

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC(=CC=C4)F)C(=O)N(C1=O)C

Isomeric SMILES

CN1C2=C(C(=NC(=N2)C3=CC=CC=C3)SCC4=CC(=CC=C4)F)C(=O)N(C1=O)C

InChI

InChI=1S/C21H17FN4O2S/c1-25-18-16(20(27)26(2)21(25)28)19(29-12-13-7-6-10-15(22)11-13)24-17(23-18)14-8-4-3-5-9-14/h3-11H,12H2,1-2H3