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

Systemtic Name: 7-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione Openeye Name: 7-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-dione CAS Name: 7-butyl-5-[(3-fluorophenyl)methylthio]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione IUPAC Name: 7-butyl-5-[(3-fluorophenyl)methylsulfanyl]-1,3-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione Traditional Name: 7-butyl-5-[(3-fluorobenzyl)thio]-1,3-dimethyl-pyrimido[4,5-d]pyrimidine-2,4-quinone Formula: C19H21FN4O2S MolecularWeight: 388.459043

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)F)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCC1=NC2=C(C(=N1)SCC3=CC(=CC=C3)F)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H21FN4O2S/c1-4-5-9-14-21-16-15(18(25)24(3)19(26)23(16)2)17(22-14)27-11-12-7-6-8-13(20)10-12/h6-8,10H,4-5,9,11H2,1-3H3