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

Systemtic Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzenecarbonitrile Openeye Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile CAS Name: 3-[[5,6-dimethyl-2-(4-morpholin-4-iumylmethyl)-4-thieno[2,3-d]pyrimidinyl]oxy]benzonitrile IUPAC Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Traditional Name: 3-[5,6-dimethyl-2-(morpholin-4-ium-4-ylmethyl)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile Formula: C20H21N4O2S+ MolecularWeight: 381.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC(=C3)C#N)C[NH+]4CCOCC4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)OC3=CC=CC(=C3)C#N)C[NH+]4CCOCC4)C

InChI

InChI=1S/C20H20N4O2S/c1-13-14(2)27-20-18(13)19(26-16-5-3-4-15(10-16)11-21)22-17(23-20)12-24-6-8-25-9-7-24/h3-5,10H,6-9,12H2,1-2H3/p+1