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

Systemtic Name: 5-(4-chlorophenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-(4-chlorophenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine CAS Name: 5-(4-chlorophenyl)-4-(1-piperazin-4-iumyl)thieno[2,3-d]pyrimidine IUPAC Name: 5-(4-chlorophenyl)-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine Traditional Name: 5-(4-chlorophenyl)-4-piperazin-4-ium-1-yl-thieno[2,3-d]pyrimidine Formula: C16H16ClN4S+ MolecularWeight: 331.84304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C(=CSC3=NC=N2)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C16H15ClN4S/c17-12-3-1-11(2-4-12)13-9-22-16-14(13)15(19-10-20-16)21-7-5-18-6-8-21/h1-4,9-10,18H,5-8H2/p+1