N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(3-methylsulfonyl-5-morpholin-4-yl-phenyl)pyrimidine-2,4-diamine

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(3-methylsulfonyl-5-morpholin-4-yl-phenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(3-methylsulfonyl-5-morpholino-phenyl)pyrimidine-2,4-diamine CAS Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-[3-methylsulfonyl-5-(4-morpholinyl)phenyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(3-methylsulfonyl-5-morpholin-4-ylphenyl)pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-(3-mesyl-5-morpholino-anilino)pyrimidin-4-yl]amine Formula: C22H22ClN5O5S MolecularWeight: 503.95858

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl)N5CCOCC5

Isomeric SMILES

CS(=O)(=O)C1=CC(=CC(=C1)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl)N5CCOCC5

InChI

InChI=1S/C22H22ClN5O5S/c1-34(29,30)16-11-14(10-15(12-16)28-6-8-31-9-7-28)25-22-24-5-4-19(27-22)26-20-17(23)2-3-18-21(20)33-13-32-18/h2-5,10-12H,6-9,13H2,1H3,(H2,24,25,26,27)