3-[5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile

Systemtic Name: 3-[5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 3-[5,6-dimethyl-2-(1-piperidylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile CAS Name: 3-[[5,6-dimethyl-2-(1-piperidinylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[5,6-dimethyl-2-(piperidin-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 3-[5,6-dimethyl-2-(piperidinomethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC(=C3)C#N)CN4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC(=C3)C#N)CN4CCCCC4)C

InChI

InChI=1S/C21H22N4OS/c1-14-15(2)27-21-19(14)20(26-17-8-6-7-16(11-17)12-22)23-18(24-21)13-25-9-4-3-5-10-25/h6-8,11H,3-5,9-10,13H2,1-2H3