2-phenacylsulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-phenacylsulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-phenacylsulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-(phenacylthio)-3-(2-pyridin-1-iumylmethyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-phenacylsulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(phenacylthio)-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one Formula: C20H16N3O2S2+ MolecularWeight: 394.48994

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3

InChI

InChI=1S/C20H15N3O2S2/c24-17(14-6-2-1-3-7-14)13-27-20-22-16-9-11-26-18(16)19(25)23(20)12-15-8-4-5-10-21-15/h1-11H,12-13H2/p+1