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

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine CAS Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-(2-mesylanilino)pyrimidin-4-yl]amine Formula: C18H15ClN4O4S MolecularWeight: 418.8541

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl

InChI

InChI=1S/C18H15ClN4O4S/c1-28(24,25)14-5-3-2-4-12(14)21-18-20-9-8-15(23-18)22-16-11(19)6-7-13-17(16)27-10-26-13/h2-9H,10H2,1H3,(H2,20,21,22,23)