6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-fluorophenyl)methylsulfanyl]-N-prop-2-enyl-pyrimidin-4-amine

Systemtic Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-fluorophenyl)methylsulfanyl]-N-prop-2-enyl-pyrimidin-4-amine Openeye Name: N-allyl-6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-fluorophenyl)methylsulfanyl]pyrimidin-4-amine CAS Name: 6-[[(4-chlorophenyl)thio]methyl]-2-[(4-fluorophenyl)methylthio]-N-prop-2-enyl-4-pyrimidinamine IUPAC Name: 6-[(4-chlorophenyl)sulfanylmethyl]-2-[(4-fluorophenyl)methylsulfanyl]-N-prop-2-enylpyrimidin-4-amine Traditional Name: allyl-[6-[[(4-chlorophenyl)thio]methyl]-2-[(4-fluorobenzyl)thio]pyrimidin-4-yl]amine Formula: C21H19ClFN3S2 MolecularWeight: 431.977063

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)F

Isomeric SMILES

C=CCNC1=NC(=NC(=C1)CSC2=CC=C(C=C2)Cl)SCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H19ClFN3S2/c1-2-11-24-20-12-18(14-27-19-9-5-16(22)6-10-19)25-21(26-20)28-13-15-3-7-17(23)8-4-15/h2-10,12H,1,11,13-14H2,(H,24,25,26)