N-[1-(4-butylsulfanylphenyl)ethyl]-5-chloranyl-6-(1-fluoroethyl)pyrimidin-4-amine

Systemtic Name: N-[1-(4-butylsulfanylphenyl)ethyl]-5-chloranyl-6-(1-fluoroethyl)pyrimidin-4-amine Openeye Name: N-[1-(4-butylsulfanylphenyl)ethyl]-5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine CAS Name: N-[1-[4-(butylthio)phenyl]ethyl]-5-chloro-6-(1-fluoroethyl)-4-pyrimidinamine IUPAC Name: N-[1-(4-butylsulfanylphenyl)ethyl]-5-chloro-6-(1-fluoroethyl)pyrimidin-4-amine Traditional Name: 1-[4-(butylthio)phenyl]ethyl-[5-chloro-6-(1-fluoroethyl)pyrimidin-4-yl]amine Formula: C18H23ClFN3S MolecularWeight: 367.911723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)C(C)NC2=NC=NC(=C2Cl)C(C)F

Isomeric SMILES

CCCCSC1=CC=C(C=C1)C(C)NC2=NC=NC(=C2Cl)C(C)F

InChI

InChI=1S/C18H23ClFN3S/c1-4-5-10-24-15-8-6-14(7-9-15)13(3)23-18-16(19)17(12(2)20)21-11-22-18/h6-9,11-13H,4-5,10H2,1-3H3,(H,21,22,23)