N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide

Systemtic Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-oxidanylidene-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanamide Openeye Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-oxo-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide CAS Name: N-(1-ethyl-4-piperidin-1-iumyl)-2-(4-oxo-6-phenyl-3-thieno[2,3-d]pyrimidinyl)acetamide IUPAC Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-oxo-6-phenylthieno[2,3-d]pyrimidin-3-yl)acetamide Traditional Name: N-(1-ethylpiperidin-1-ium-4-yl)-2-(4-keto-6-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetamide Formula: C21H25N4O2S+ MolecularWeight: 397.5138

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CN2C=NC3=C(C2=O)C=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N4O2S/c1-2-24-10-8-16(9-11-24)23-19(26)13-25-14-22-20-17(21(25)27)12-18(28-20)15-6-4-3-5-7-15/h3-7,12,14,16H,2,8-11,13H2,1H3,(H,23,26)/p+1