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

Systemtic Name: 5-(4-methylphenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-piperazin-4-ium-1-yl-5-(p-tolyl)thieno[2,3-d]pyrimidine CAS Name: 5-(4-methylphenyl)-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-methylphenyl)-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 4-piperazin-4-ium-1-yl-5-(p-tolyl)thieno[2,3-d]pyrimidine Formula: C17H19N4S+ MolecularWeight: 311.42456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH2+]CC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=NC=NC(=C23)N4CC[NH2+]CC4

InChI

InChI=1S/C17H18N4S/c1-12-2-4-13(5-3-12)14-10-22-17-15(14)16(19-11-20-17)21-8-6-18-7-9-21/h2-5,10-11,18H,6-9H2,1H3/p+1