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

Systemtic Name: N4-(5-chloranyl-1,3-benzodioxol-4-yl)-N2-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine Openeye Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine CAS Name: N4-(5-chloro-1,3-benzodioxol-4-yl)-N2-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine IUPAC Name: 4-N-(5-chloro-1,3-benzodioxol-4-yl)-2-N-(4-methylsulfonylphenyl)pyrimidine-2,4-diamine Traditional Name: (5-chloro-1,3-benzodioxol-4-yl)-[2-(4-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=C(C=C1)NC2=NC=CC(=N2)NC3=C(C=CC4=C3OCO4)Cl

Isomeric SMILES

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

InChI

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