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

Systemtic Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-ethoxy-benzenesulfonamide CAS Name: N-[5,6-dimethyl-2-(1-pyrrolidinylmethyl)-4-thieno[2,3-d]pyrimidinyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]-4-ethoxybenzenesulfonamide Traditional Name: N-[5,6-dimethyl-2-(pyrrolidinomethyl)thieno[2,3-d]pyrimidin-4-yl]-4-ethoxy-benzenesulfonamide Formula: C21H26N4O3S2 MolecularWeight: 446.58614

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)CN4CCCC4)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=C3C(=C(SC3=NC(=N2)CN4CCCC4)C)C

InChI

InChI=1S/C21H26N4O3S2/c1-4-28-16-7-9-17(10-8-16)30(26,27)24-20-19-14(2)15(3)29-21(19)23-18(22-20)13-25-11-5-6-12-25/h7-10H,4-6,11-13H2,1-3H3,(H,22,23,24)