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

Systemtic Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-6-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 4-[4-(2-furylmethyl)piperazin-4-ium-1-yl]-6-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidine CAS Name: 4-[4-(2-furanylmethyl)-1-piperazin-4-iumyl]-6-phenyl-2-(2-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-(furan-2-ylmethyl)piperazin-4-ium-1-yl]-6-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine Traditional Name: 4-[4-(2-furfuryl)piperazin-4-ium-1-yl]-6-phenyl-2-(2-pyridyl)thieno[2,3-d]pyrimidine Formula: C26H24N5OS+ MolecularWeight: 454.56666

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CO2)C3=C4C=C(SC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CO2)C3=C4C=C(SC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C26H23N5OS/c1-2-7-19(8-3-1)23-17-21-25(28-24(29-26(21)33-23)22-10-4-5-11-27-22)31-14-12-30(13-15-31)18-20-9-6-16-32-20/h1-11,16-17H,12-15,18H2/p+1