(6E)-5-azanylidene-6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one

Systemtic Name: (6E)-5-azanylidene-6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylidene]-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Openeye Name: (6E)-2-(1-ethylpropyl)-6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one CAS Name: (6E)-6-[[1-(4-fluorophenyl)-2,5-dimethyl-3-pyrrolyl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one IUPAC Name: (6E)-6-[[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-5-imino-2-pentan-3-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Traditional Name: (6E)-2-(1-ethylpropyl)-6-[[1-(4-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]-5-imino-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-one Formula: C23H24FN5OS MolecularWeight: 437.532963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN2C(=N)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C)C(=O)N=C2S1

Isomeric SMILES

CCC(CC)C1=NN2C(=N)/C(=C\C3=C(N(C(=C3)C)C4=CC=C(C=C4)F)C)/C(=O)N=C2S1

InChI

InChI=1S/C23H24FN5OS/c1-5-15(6-2)22-27-29-20(25)19(21(30)26-23(29)31-22)12-16-11-13(3)28(14(16)4)18-9-7-17(24)8-10-18/h7-12,15,25H,5-6H2,1-4H3/b19-12+,25-20?