2-(2-methylmorpholin-4-yl)-N-(4-methylsulfonylphenyl)-9-(1,3-thiazol-4-yl)purin-6-amine

Systemtic Name: 2-(2-methylmorpholin-4-yl)-N-(4-methylsulfonylphenyl)-9-(1,3-thiazol-4-yl)purin-6-amine Openeye Name: 2-(2-methylmorpholin-4-yl)-N-(4-methylsulfonylphenyl)-9-thiazol-4-yl-purin-6-amine CAS Name: 2-(2-methyl-4-morpholinyl)-N-(4-methylsulfonylphenyl)-9-(4-thiazolyl)-6-purinamine IUPAC Name: 2-(2-methylmorpholin-4-yl)-N-(4-methylsulfonylphenyl)-9-(1,3-thiazol-4-yl)purin-6-amine Traditional Name: (4-mesylphenyl)-[2-(2-methylmorpholino)-9-thiazol-4-yl-purin-6-yl]amine Formula: C20H21N7O3S2 MolecularWeight: 471.55584

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)C)N=CN3C5=CSC=N5

Isomeric SMILES

CC1CN(CCO1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)S(=O)(=O)C)N=CN3C5=CSC=N5

InChI

InChI=1S/C20H21N7O3S2/c1-13-9-26(7-8-30-13)20-24-18(23-14-3-5-15(6-4-14)32(2,28)29)17-19(25-20)27(11-21-17)16-10-31-12-22-16/h3-6,10-13H,7-9H2,1-2H3,(H,23,24,25)