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

Systemtic Name: 4-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 4-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile CAS Name: 4-[[5,6-dimethyl-2-(1-piperidin-1-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzonitrile IUPAC Name: 4-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 4-[5,6-dimethyl-2-(piperidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Formula: C21H23N4OS+ MolecularWeight: 379.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=C(C=C3)C#N)C[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=C(C=C3)C#N)C[NH+]4CCCCC4)C

InChI

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