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

Systemtic Name: N-(4-ethylphenyl)-2-[[4-oxidanylidene-6-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-ethylphenyl)-2-[[4-oxo-6-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-6-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[[4-oxo-6-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]sulfanyl]acetamide Traditional Name: N-(4-ethylphenyl)-2-[[4-keto-6-[(1S)-1-phenylethyl]-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidin-6-ium-2-yl]thio]acetamide Formula: C25H29N4O2S+ MolecularWeight: 449.58836

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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)C(C)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O2S/c1-3-18-9-11-20(12-10-18)26-23(30)16-32-25-27-22-13-14-29(15-21(22)24(31)28-25)17(2)19-7-5-4-6-8-19/h4-12,17H,3,13-16H2,1-2H3,(H,26,30)(H,27,28,31)/p+1/t17-/m0/s1