6-ethyl-5-(4-ethylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 6-ethyl-5-(4-ethylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 6-ethyl-5-(4-ethylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 6-ethyl-5-(4-ethylphenyl)-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 6-ethyl-5-(4-ethylphenyl)-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 6-ethyl-5-(4-ethylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C20H25N4S+ MolecularWeight: 353.5043

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CC[NH2+]CC4)CC

Isomeric SMILES

CCC1=CC=C(C=C1)C2=C(SC3=NC=NC(=C23)N4CC[NH2+]CC4)CC

InChI

InChI=1S/C20H24N4S/c1-3-14-5-7-15(8-6-14)17-16(4-2)25-20-18(17)19(22-13-23-20)24-11-9-21-10-12-24/h5-8,13,21H,3-4,9-12H2,1-2H3/p+1