N4-[3,5-bis(chloranyl)-4-pyridin-4-ylsulfanyl-phenyl]-6-pyridin-4-yl-pyrimidine-2,4-diamine

Systemtic Name: N4-[3,5-bis(chloranyl)-4-pyridin-4-ylsulfanyl-phenyl]-6-pyridin-4-yl-pyrimidine-2,4-diamine Openeye Name: N4-[3,5-dichloro-4-(4-pyridylsulfanyl)phenyl]-6-(4-pyridyl)pyrimidine-2,4-diamine CAS Name: N4-[3,5-dichloro-4-(pyridin-4-ylthio)phenyl]-6-pyridin-4-ylpyrimidine-2,4-diamine IUPAC Name: 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-pyridin-4-ylpyrimidine-2,4-diamine Traditional Name: [2-amino-6-(4-pyridyl)pyrimidin-4-yl]-[3,5-dichloro-4-(4-pyridylthio)phenyl]amine Formula: C20H14Cl2N6S MolecularWeight: 441.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1C2=CC(=NC(=N2)N)NC3=CC(=C(C(=C3)Cl)SC4=CC=NC=C4)Cl

Isomeric SMILES

C1=CN=CC=C1C2=CC(=NC(=N2)N)NC3=CC(=C(C(=C3)Cl)SC4=CC=NC=C4)Cl

InChI

InChI=1S/C20H14Cl2N6S/c21-15-9-13(10-16(22)19(15)29-14-3-7-25-8-4-14)26-18-11-17(27-20(23)28-18)12-1-5-24-6-2-12/h1-11H,(H3,23,26,27,28)