N4-[3-fluoranyl-4-(pyridin-4-ylsulfanylmethyl)phenyl]-6-methyl-pyrimidine-2,4-diamine

Systemtic Name: N4-[3-fluoranyl-4-(pyridin-4-ylsulfanylmethyl)phenyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(4-pyridylsulfanylmethyl)phenyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-[(pyridin-4-ylthio)methyl]phenyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 4-N-[3-fluoro-4-(pyridin-4-ylsulfanylmethyl)phenyl]-6-methylpyrimidine-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-4-yl)-[3-fluoro-4-[(4-pyridylthio)methyl]phenyl]amine Formula: C17H16FN5S MolecularWeight: 341.405843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2)CSC3=CC=NC=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2)CSC3=CC=NC=C3)F

InChI

InChI=1S/C17H16FN5S/c1-11-8-16(23-17(19)21-11)22-13-3-2-12(15(18)9-13)10-24-14-4-6-20-7-5-14/h2-9H,10H2,1H3,(H3,19,21,22,23)