6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one

Systemtic Name: 6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Openeye Name: 6-cyclopentyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one CAS Name: 6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one IUPAC Name: 6-cyclopentyl-2-sulfanylidene-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Traditional Name: 6-cyclopentyl-2-thioxo-1-[3-(trifluoromethyl)phenyl]-7,8-dihydro-5H-pyrimido[4,5-d]pyrimidin-4-one Formula: C18H19F3N4OS MolecularWeight: 396.42987

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N2CC3=C(NC2)N(C(=S)NC3=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C18H19F3N4OS/c19-18(20,21)11-4-3-7-13(8-11)25-15-14(16(26)23-17(25)27)9-24(10-22-15)12-5-1-2-6-12/h3-4,7-8,12,22H,1-2,5-6,9-10H2,(H,23,26,27)