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

Systemtic Name: 4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-ethoxy-benzenecarbonitrile Openeye Name: 4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-ethoxy-benzonitrile CAS Name: 4-[[5,6-dimethyl-2-(1-pyrrolidinylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]-3-ethoxybenzonitrile IUPAC Name: 4-[5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-ethoxybenzonitrile Traditional Name: 4-[5,6-dimethyl-2-(pyrrolidinomethyl)thieno[2,3-d]pyrimidin-4-yl]oxy-3-ethoxy-benzonitrile Formula: C22H24N4O2S MolecularWeight: 408.51656

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C#N)OC2=C3C(=C(SC3=NC(=N2)CN4CCCC4)C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C#N)OC2=C3C(=C(SC3=NC(=N2)CN4CCCC4)C)C

InChI

InChI=1S/C22H24N4O2S/c1-4-27-18-11-16(12-23)7-8-17(18)28-21-20-14(2)15(3)29-22(20)25-19(24-21)13-26-9-5-6-10-26/h7-8,11H,4-6,9-10,13H2,1-3H3