N-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methyl-benzenesulfonamide CAS Name: N-[5,6-dimethyl-2-(1-pyrrolidinylmethyl)-4-thieno[2,3-d]pyrimidinyl]-4-methylbenzenesulfonamide IUPAC Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methylbenzenesulfonamide Traditional Name: N-[5,6-dimethyl-2-(pyrrolidinomethyl)thieno[2,3-d]pyrimidin-4-yl]-4-methyl-benzenesulfonamide Formula: C20H24N4O2S2 MolecularWeight: 416.56016

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)CN4CCCC4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)CN4CCCC4)C)C

InChI

InChI=1S/C20H24N4O2S2/c1-13-6-8-16(9-7-13)28(25,26)23-19-18-14(2)15(3)27-20(18)22-17(21-19)12-24-10-4-5-11-24/h6-9H,4-5,10-12H2,1-3H3,(H,21,22,23)