2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2-methylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[2-(2-methyl-1-piperidyl)-2-oxo-ethyl]sulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[2-(2-methyl-1-piperidinyl)-2-oxoethyl]thio]-3-(2-pyridin-1-iumylmethyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(2-methylpiperidino)ethyl]thio]-3-(pyridin-1-ium-2-ylmethyl)thieno[3,2-d]pyrimidin-4-one Formula: C20H23N4O2S2+ MolecularWeight: 415.55222

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3

Isomeric SMILES

CC1CCCCN1C(=O)CSC2=NC3=C(C(=O)N2CC4=CC=CC=[NH+]4)SC=C3

InChI

InChI=1S/C20H22N4O2S2/c1-14-6-3-5-10-23(14)17(25)13-28-20-22-16-8-11-27-18(16)19(26)24(20)12-15-7-2-4-9-21-15/h2,4,7-9,11,14H,3,5-6,10,12-13H2,1H3/p+1