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

Systemtic Name: N4-[3,5-bis(chloranyl)-4-pyridin-4-ylsulfanyl-phenyl]-6-phenyl-pyrimidine-2,4-diamine Openeye Name: N4-[3,5-dichloro-4-(4-pyridylsulfanyl)phenyl]-6-phenyl-pyrimidine-2,4-diamine CAS Name: N4-[3,5-dichloro-4-(pyridin-4-ylthio)phenyl]-6-phenylpyrimidine-2,4-diamine IUPAC Name: 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-phenylpyrimidine-2,4-diamine Traditional Name: (2-amino-6-phenyl-pyrimidin-4-yl)-[3,5-dichloro-4-(4-pyridylthio)phenyl]amine Formula: C21H15Cl2N5S MolecularWeight: 440.3483

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC(=C(C(=C3)Cl)SC4=CC=NC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)N)NC3=CC(=C(C(=C3)Cl)SC4=CC=NC=C4)Cl

InChI

InChI=1S/C21H15Cl2N5S/c22-16-10-14(11-17(23)20(16)29-15-6-8-25-9-7-15)26-19-12-18(27-21(24)28-19)13-4-2-1-3-5-13/h1-12H,(H3,24,26,27,28)