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3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide

3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide

Systemtic Name:3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide
Openeye Name:3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonyl-benzamide
CAS Name:3-[6-(cyclopropylamino)-2-(trifluoromethyl)-9-purinyl]-N-methylsulfonylbenzamide
IUPAC Name:3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-methylsulfonylbenzamide
Traditional Name:3-[6-(cyclopropylamino)-2-(trifluoromethyl)purin-9-yl]-N-mesyl-benzamide
Formula: C17H15F3N6O3S
MolecularWeight: 440.39961
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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC(=O)C1=CC(=CC=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F


Isomeric SMILES

CS(=O)(=O)NC(=O)C1=CC(=CC=C1)N2C=NC3=C2N=C(N=C3NC4CC4)C(F)(F)F


InChI

InChI=1S/C17H15F3N6O3S/c1-30(28,29)25-15(27)9-3-2-4-11(7-9)26-8-21-12-13(22-10-5-6-10)23-16(17(18,19)20)24-14(12)26/h2-4,7-8,10H,5-6H2,1H3,(H,25,27)(H,22,23,24)


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