2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone

Systemtic Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Openeye Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone CAS Name: 2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)oxy]-1-[4-(1-pyrrolidinylsulfonyl)phenyl]ethanone IUPAC Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone Traditional Name: 2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)oxy-1-(4-pyrrolidinosulfonylphenyl)ethanone Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)OCC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C20H21N3O4S2/c1-13-14(2)28-20-18(13)19(21-12-22-20)27-11-17(24)15-5-7-16(8-6-15)29(25,26)23-9-3-4-10-23/h5-8,12H,3-4,9-11H2,1-2H3