5-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6,7-dihydro-5H-cyclohepta[d]pyrimidine-2,4-diamine

Systemtic Name: 5-(3-fluoranyl-4-pyridin-4-ylsulfanyl-phenyl)-6,7-dihydro-5H-cyclohepta[d]pyrimidine-2,4-diamine Openeye Name: 5-[3-fluoro-4-(4-pyridylsulfanyl)phenyl]-6,7-dihydro-5H-cyclohepta[d]pyrimidine-2,4-diamine CAS Name: 5-[3-fluoro-4-(pyridin-4-ylthio)phenyl]-6,7-dihydro-5H-cyclohepta[d]pyrimidine-2,4-diamine IUPAC Name: 5-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7-dihydro-5H-cyclohepta[d]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[3-fluoro-4-(4-pyridylthio)phenyl]-6,7-dihydro-5H-cyclohepta[d]pyrimidin-4-yl]amine Formula: C20H18FN5S MolecularWeight: 379.453823

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C=C1)N=C(N=C2N)N)C3=CC(=C(C=C3)SC4=CC=NC=C4)F

Isomeric SMILES

C1CC(C2=C(C=C1)N=C(N=C2N)N)C3=CC(=C(C=C3)SC4=CC=NC=C4)F

InChI

InChI=1S/C20H18FN5S/c21-15-11-12(5-6-17(15)27-13-7-9-24-10-8-13)14-3-1-2-4-16-18(14)19(22)26-20(23)25-16/h2,4-11,14H,1,3H2,(H4,22,23,25,26)