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

Systemtic Name: 2-methyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-methyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-methyl-4-(1-piperazin-4-iumyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-methyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C15H21N4S+ MolecularWeight: 289.41904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC[NH2+]CC4

Isomeric SMILES

CC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC[NH2+]CC4

InChI

InChI=1S/C15H20N4S/c1-10-17-14(19-8-6-16-7-9-19)13-11-4-2-3-5-12(11)20-15(13)18-10/h16H,2-9H2,1H3/p+1