ethyl 4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate

Systemtic Name: ethyl 4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate Openeye Name: ethyl 4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate CAS Name: 4-[[5,6-dimethyl-2-(1-pyrrolidinylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoate Traditional Name: 4-[5,6-dimethyl-2-(pyrrolidinomethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzoic acid ethyl ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OC2=C3C(=C(SC3=NC(=N2)CN4CCCC4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OC2=C3C(=C(SC3=NC(=N2)CN4CCCC4)C)C

InChI

InChI=1S/C22H25N3O3S/c1-4-27-22(26)16-7-9-17(10-8-16)28-20-19-14(2)15(3)29-21(19)24-18(23-20)13-25-11-5-6-12-25/h7-10H,4-6,11-13H2,1-3H3