N2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-bromanyl-N4-prop-2-ynyl-pyrimidine-2,4-diamine

Systemtic Name: N2-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-5-bromanyl-N4-prop-2-ynyl-pyrimidine-2,4-diamine Openeye Name: 5-bromo-N2-[4-(difluoromethylsulfanyl)phenyl]-N4-prop-2-ynyl-pyrimidine-2,4-diamine CAS Name: 5-bromo-N2-[4-(difluoromethylthio)phenyl]-N4-prop-2-ynylpyrimidine-2,4-diamine IUPAC Name: 5-bromo-2-N-[4-(difluoromethylsulfanyl)phenyl]-4-N-prop-2-ynylpyrimidine-2,4-diamine Traditional Name: [5-bromo-2-[4-(difluoromethylthio)anilino]pyrimidin-4-yl]-propargyl-amine Formula: C14H11BrF2N4S MolecularWeight: 385.229746

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Descriptors Computed from Structure

Canonical SMILES:

C#CCNC1=NC(=NC=C1Br)NC2=CC=C(C=C2)SC(F)F

Isomeric SMILES

C#CCNC1=NC(=NC=C1Br)NC2=CC=C(C=C2)SC(F)F

InChI

InChI=1S/C14H11BrF2N4S/c1-2-7-18-12-11(15)8-19-14(21-12)20-9-3-5-10(6-4-9)22-13(16)17/h1,3-6,8,13H,7H2,(H2,18,19,20,21)