5-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate

Systemtic Name: 5-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxidanylidene-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate Openeye Name: 5-[3-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-3-oxo-propyl]-6-methyl-2-methylsulfanyl-pyrimidin-4-olate CAS Name: 5-[3-[[4-(4-fluorophenyl)-2-thiazolyl]amino]-3-oxopropyl]-6-methyl-2-(methylthio)-4-pyrimidinolate IUPAC Name: 5-[3-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-6-methyl-2-methylsulfanylpyrimidin-4-olate Traditional Name: 5-[3-[[4-(4-fluorophenyl)thiazol-2-yl]amino]-3-keto-propyl]-6-methyl-2-(methylthio)pyrimidin-4-olate Formula: C18H16FN4O2S2- MolecularWeight: 403.473643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)[O-])CCC(=O)NC2=NC(=CS2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H17FN4O2S2/c1-10-13(16(25)23-17(20-10)26-2)7-8-15(24)22-18-21-14(9-27-18)11-3-5-12(19)6-4-11/h3-6,9H,7-8H2,1-2H3,(H,20,23,25)(H,21,22,24)/p-1