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

Systemtic Name: N4-[3-fluoranyl-4-(pyridin-4-ylmethylsulfanyl)phenyl]-6-methyl-pyrimidine-2,4-diamine Openeye Name: N4-[3-fluoro-4-(4-pyridylmethylsulfanyl)phenyl]-6-methyl-pyrimidine-2,4-diamine CAS Name: N4-[3-fluoro-4-(pyridin-4-ylmethylthio)phenyl]-6-methylpyrimidine-2,4-diamine IUPAC Name: 4-N-[3-fluoro-4-(pyridin-4-ylmethylsulfanyl)phenyl]-6-methylpyrimidine-2,4-diamine Traditional Name: (2-amino-6-methyl-pyrimidin-4-yl)-[3-fluoro-4-(4-pyridylmethylthio)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)SCC3=CC=NC=C3)F

Isomeric SMILES

CC1=CC(=NC(=N1)N)NC2=CC(=C(C=C2)SCC3=CC=NC=C3)F

InChI

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