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

Systemtic Name: 4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 4-[4-(3-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=CN=CC=C2)C3=C4C=CSC4=NC=N3

Isomeric SMILES

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

InChI

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