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

Systemtic Name: 4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-6-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidine Openeye Name: 6-phenyl-2-(3-pyridyl)-4-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[[(2S)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]-6-phenyl-2-(3-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-6-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine Traditional Name: 6-phenyl-2-(3-pyridyl)-4-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C26H28N5OS+ MolecularWeight: 458.59842

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C3=C4C=C(SC4=NC(=N3)C5=CN=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C[C@H](OC1)C[NH+]2CCN(CC2)C3=C4C=C(SC4=NC(=N3)C5=CN=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C26H27N5OS/c1-2-6-19(7-3-1)23-16-22-25(28-24(29-26(22)33-23)20-8-4-10-27-17-20)31-13-11-30(12-14-31)18-21-9-5-15-32-21/h1-4,6-8,10,16-17,21H,5,9,11-15,18H2/p+1/t21-/m0/s1