1-[4-[[2-(2-methylmorpholin-4-yl)-9-thiophen-3-yl-purin-6-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[2-(2-methylmorpholin-4-yl)-9-thiophen-3-yl-purin-6-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[2-(2-methylmorpholin-4-yl)-9-(3-thienyl)purin-6-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[2-(2-methyl-4-morpholinyl)-9-(3-thiophenyl)-6-purinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[2-(2-methylmorpholin-4-yl)-9-thiophen-3-ylpurin-6-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[2-(2-methylmorpholino)-9-(3-thienyl)purin-6-yl]amino]phenyl]ethanone Formula: C22H22N6O2S MolecularWeight: 434.51408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)C(=O)C)N=CN3C5=CSC=C5

Isomeric SMILES

CC1CN(CCO1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)C(=O)C)N=CN3C5=CSC=C5

InChI

InChI=1S/C22H22N6O2S/c1-14-11-27(8-9-30-14)22-25-20(24-17-5-3-16(4-6-17)15(2)29)19-21(26-22)28(13-23-19)18-7-10-31-12-18/h3-7,10,12-14H,8-9,11H2,1-2H3,(H,24,25,26)