1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-(4-fluorophenyl)thiourea

Systemtic Name: 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-(4-fluorophenyl)thiourea Openeye Name: 1-[3-(4,6-dimethyl-2-methylsulfanyl-pyrimidin-5-yl)propanoylamino]-3-(4-fluorophenyl)thiourea CAS Name: 1-[[3-[4,6-dimethyl-2-(methylthio)-5-pyrimidinyl]-1-oxopropyl]amino]-3-(4-fluorophenyl)thiourea IUPAC Name: 1-[3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)propanoylamino]-3-(4-fluorophenyl)thiourea Traditional Name: 1-[3-[4,6-dimethyl-2-(methylthio)pyrimidin-5-yl]propanoylamino]-3-(4-fluorophenyl)thiourea Formula: C17H20FN5OS2 MolecularWeight: 393.502003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)C)CCC(=O)NNC(=S)NC2=CC=C(C=C2)F

InChI

InChI=1S/C17H20FN5OS2/c1-10-14(11(2)20-17(19-10)26-3)8-9-15(24)22-23-16(25)21-13-6-4-12(18)5-7-13/h4-7H,8-9H2,1-3H3,(H,22,24)(H2,21,23,25)