N-(4-ethylphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-ethylphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]acetamide CAS Name: N-(4-ethylphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[[6-[(4-fluorophenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[[6-(4-fluorobenzyl)-4-keto-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]thio]acetamide Formula: C24H26FN4O2S+ MolecularWeight: 453.552243

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CC[NH+](C3)CC4=CC=C(C=C4)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC(=O)C3=C(N2)CC[NH+](C3)CC4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN4O2S/c1-2-16-5-9-19(10-6-16)26-22(30)15-32-24-27-21-11-12-29(14-20(21)23(31)28-24)13-17-3-7-18(25)8-4-17/h3-10H,2,11-15H2,1H3,(H,26,30)(H,27,28,31)/p+1