methyl 3-[4-(4-fluorophenyl)-5-(2-propylsulfanylpyrimidin-4-yl)imidazol-1-yl]butanoate

Systemtic Name: methyl 3-[4-(4-fluorophenyl)-5-(2-propylsulfanylpyrimidin-4-yl)imidazol-1-yl]butanoate Openeye Name: methyl 3-[4-(4-fluorophenyl)-5-(2-propylsulfanylpyrimidin-4-yl)imidazol-1-yl]butanoate CAS Name: 3-[4-(4-fluorophenyl)-5-[2-(propylthio)-4-pyrimidinyl]-1-imidazolyl]butanoic acid methyl ester IUPAC Name: methyl 3-[4-(4-fluorophenyl)-5-(2-propylsulfanylpyrimidin-4-yl)imidazol-1-yl]butanoate Traditional Name: 3-[4-(4-fluorophenyl)-5-[2-(propylthio)pyrimidin-4-yl]imidazol-1-yl]butyric acid methyl ester Formula: C21H23FN4O2S MolecularWeight: 414.496323

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC=CC(=N1)C2=C(N=CN2C(C)CC(=O)OC)C3=CC=C(C=C3)F

Isomeric SMILES

CCCSC1=NC=CC(=N1)C2=C(N=CN2C(C)CC(=O)OC)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4O2S/c1-4-11-29-21-23-10-9-17(25-21)20-19(15-5-7-16(22)8-6-15)24-13-26(20)14(2)12-18(27)28-3/h5-10,13-14H,4,11-12H2,1-3H3