N'-[3-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]pyridin-2-yl]propane-1,3-diamine

Systemtic Name: N'-[3-[2-[(3-methylsulfonylphenyl)amino]pyrimidin-4-yl]pyridin-2-yl]propane-1,3-diamine Openeye Name: N'-[3-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]-2-pyridyl]propane-1,3-diamine CAS Name: N'-[3-[2-(3-methylsulfonylanilino)-4-pyrimidinyl]-2-pyridinyl]propane-1,3-diamine IUPAC Name: N'-[3-[2-(3-methylsulfonylanilino)pyrimidin-4-yl]pyridin-2-yl]propane-1,3-diamine Traditional Name: 3-aminopropyl-[3-[2-(3-mesylanilino)pyrimidin-4-yl]-2-pyridyl]amine Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C(N=CC=C3)NCCCN

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC2=NC=CC(=N2)C3=C(N=CC=C3)NCCCN

InChI

InChI=1S/C19H22N6O2S/c1-28(26,27)15-6-2-5-14(13-15)24-19-23-12-8-17(25-19)16-7-3-10-21-18(16)22-11-4-9-20/h2-3,5-8,10,12-13H,4,9,11,20H2,1H3,(H,21,22)(H,23,24,25)