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

Systemtic Name: 2-ethyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Openeye Name: 2-ethyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine CAS Name: 2-ethyl-4-(1-piperazin-4-iumyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine IUPAC Name: 2-ethyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine Traditional Name: 2-ethyl-4-piperazin-4-ium-1-yl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidine Formula: C16H23N4S+ MolecularWeight: 303.44562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC[NH2+]CC4

Isomeric SMILES

CCC1=NC(=C2C3=C(CCCC3)SC2=N1)N4CC[NH2+]CC4

InChI

InChI=1S/C16H22N4S/c1-2-13-18-15(20-9-7-17-8-10-20)14-11-5-3-4-6-12(11)21-16(14)19-13/h17H,2-10H2,1H3/p+1