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

Systemtic Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C16H18N5S+ MolecularWeight: 312.41262

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C3=C4C=CSC4=NC=N3

InChI

InChI=1S/C16H17N5S/c1-4-17-5-2-13(1)11-20-6-8-21(9-7-20)15-14-3-10-22-16(14)19-12-18-15/h1-5,10,12H,6-9,11H2/p+1