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

Systemtic Name: 6-phenyl-2-pyridin-2-yl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Openeye Name: 6-phenyl-2-(2-pyridyl)-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 6-phenyl-2-(2-pyridinyl)-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]thieno[2,3-d]pyrimidine IUPAC Name: 6-phenyl-2-pyridin-2-yl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Traditional Name: 6-phenyl-2-(2-pyridyl)-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C27H25N6S+ MolecularWeight: 465.5926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C4C=C(SC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)C3=C4C=C(SC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C27H24N6S/c1-2-8-21(9-3-1)24-17-22-26(30-25(31-27(22)34-24)23-10-4-5-12-29-23)33-15-13-32(14-16-33)19-20-7-6-11-28-18-20/h1-12,17-18H,13-16,19H2/p+1