2-methylsulfanyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine

Systemtic Name: 2-methylsulfanyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-methylsulfanyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-(methylthio)-4-(1-piperazin-4-iumyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-methylsulfanyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-(methylthio)-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C15H21N4S2+ MolecularWeight: 321.48404

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC[NH2+]CC4

Isomeric SMILES

CSC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC[NH2+]CC4

InChI

InChI=1S/C15H20N4S2/c1-20-15-17-13(19-8-6-16-7-9-19)12-10-4-2-3-5-11(10)21-14(12)18-15/h16H,2-9H2,1H3/p+1