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

Systemtic Name: N-(4-fluorophenyl)-2-[[6-[(4-methylphenyl)methyl]-4-oxidanylidene-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-fluorophenyl)-2-[[4-oxo-6-(p-tolylmethyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]acetamide CAS Name: N-(4-fluorophenyl)-2-[[6-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]thio]acetamide IUPAC Name: N-(4-fluorophenyl)-2-[[6-[(4-methylphenyl)methyl]-4-oxo-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]acetamide Traditional Name: N-(4-fluorophenyl)-2-[[4-keto-6-(4-methylbenzyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]thio]acetamide Formula: C23H24FN4O2S+ MolecularWeight: 439.525663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCC3=C(C2)C(=O)N=C(N3)SCC(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCC3=C(C2)C(=O)N=C(N3)SCC(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O2S/c1-15-2-4-16(5-3-15)12-28-11-10-20-19(13-28)22(30)27-23(26-20)31-14-21(29)25-18-8-6-17(24)7-9-18/h2-9H,10-14H2,1H3,(H,25,29)(H,26,27,30)/p+1