3-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]-5-methylsulfonyl-benzamide

Systemtic Name: 3-[[4-[(5-chloranyl-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]-5-methylsulfonyl-benzamide Openeye Name: 3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]-5-methylsulfonyl-benzamide CAS Name: 3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]-2-pyrimidinyl]amino]-5-methylsulfonylbenzamide IUPAC Name: 3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]-5-methylsulfonylbenzamide Traditional Name: 3-[[4-[(5-chloro-1,3-benzodioxol-4-yl)amino]pyrimidin-2-yl]amino]-5-mesyl-benzamide Formula: C19H16ClN5O5S MolecularWeight: 461.87884

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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)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O5S/c1-31(27,28)12-7-10(18(21)26)6-11(8-12)23-19-22-5-4-15(25-19)24-16-13(20)2-3-14-17(16)30-9-29-14/h2-8H,9H2,1H3,(H2,21,26)(H2,22,23,24,25)