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

Systemtic Name: 5-(4-ethylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-(4-ethylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 5-(4-ethylphenyl)-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-ethylphenyl)-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 5-(4-ethylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C18H21N4S+ MolecularWeight: 325.45114

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH2+]CC4

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH2+]CC4

InChI

InChI=1S/C18H20N4S/c1-2-13-3-5-14(6-4-13)15-11-23-18-16(15)17(20-12-21-18)22-9-7-19-8-10-22/h3-6,11-12,19H,2,7-10H2,1H3/p+1