N-(3-imidazol-1-ylpropyl)-4-(4-methylsulfanylphenyl)-6-pyridin-4-yl-pyrimidin-2-amine

Systemtic Name: N-(3-imidazol-1-ylpropyl)-4-(4-methylsulfanylphenyl)-6-pyridin-4-yl-pyrimidin-2-amine Openeye Name: N-(3-imidazol-1-ylpropyl)-4-(4-methylsulfanylphenyl)-6-(4-pyridyl)pyrimidin-2-amine CAS Name: N-[3-(1-imidazolyl)propyl]-4-[4-(methylthio)phenyl]-6-pyridin-4-yl-2-pyrimidinamine IUPAC Name: N-(3-imidazol-1-ylpropyl)-4-(4-methylsulfanylphenyl)-6-pyridin-4-ylpyrimidin-2-amine Traditional Name: 3-imidazol-1-ylpropyl-[4-[4-(methylthio)phenyl]-6-(4-pyridyl)pyrimidin-2-yl]amine Formula: C22H22N6S MolecularWeight: 402.51528

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC(=NC(=N2)NCCCN3C=CN=C3)C4=CC=NC=C4

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC(=NC(=N2)NCCCN3C=CN=C3)C4=CC=NC=C4

InChI

InChI=1S/C22H22N6S/c1-29-19-5-3-17(4-6-19)20-15-21(18-7-10-23-11-8-18)27-22(26-20)25-9-2-13-28-14-12-24-16-28/h3-8,10-12,14-16H,2,9,13H2,1H3,(H,25,26,27)