2-methylsulfanyl-N-piperidin-1-ium-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine

Systemtic Name: 2-methylsulfanyl-N-piperidin-1-ium-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Openeye Name: 2-methylsulfanyl-N-piperidin-1-ium-4-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-amine CAS Name: 2-(methylthio)-N-(4-piperidin-1-iumyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine IUPAC Name: 2-methylsulfanyl-N-piperidin-1-ium-4-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine Traditional Name: [2-(methylthio)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-yl]-piperidin-1-ium-4-yl-amine Formula: C16H23N4S2+ MolecularWeight: 335.51062

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C3=C(CCCC3)SC2=N1)NC4CC[NH2+]CC4

Isomeric SMILES

CSC1=NC(=C2C3=C(CCCC3)SC2=N1)NC4CC[NH2+]CC4

InChI

InChI=1S/C16H22N4S2/c1-21-16-19-14(18-10-6-8-17-9-7-10)13-11-4-2-3-5-12(11)22-15(13)20-16/h10,17H,2-9H2,1H3,(H,18,19,20)/p+1