N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxidanylidene-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxidanylidene-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-ethanamide Openeye Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxo-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanyl-acetamide CAS Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[[4-oxo-3-(2-pyridin-1-iumylmethyl)-2-thieno[3,2-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(5-methyl-1H-pyrazol-3-yl)-2-[4-oxo-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]thio]-N-(5-methyl-1H-pyrazol-3-yl)acetamide Formula: C18H17N6O2S2+ MolecularWeight: 413.49658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3

Isomeric SMILES

CC1=CC(=NN1)NC(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3

InChI

InChI=1S/C18H16N6O2S2/c1-11-8-14(23-22-11)21-15(25)10-28-18-20-13-5-7-27-16(13)17(26)24(18)9-12-4-2-3-6-19-12/h2-8H,9-10H2,1H3,(H2,21,22,23,25)/p+1