4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidine

Systemtic Name: 4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-5-phenyl-2-pyridin-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 5-phenyl-2-(2-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]-5-phenyl-2-(2-pyridinyl)thieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-5-phenyl-2-pyridin-2-ylthieno[2,3-d]pyrimidine Traditional Name: 5-phenyl-2-(2-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(=CSC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

Isomeric SMILES

C1C[C@H](OC1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC(=N3)C5=CC=CC=N5)C6=CC=CC=C6

InChI

InChI=1S/C26H27N5OS/c1-2-7-19(8-3-1)21-18-33-26-23(21)25(28-24(29-26)22-10-4-5-11-27-22)31-14-12-30(13-15-31)17-20-9-6-16-32-20/h1-5,7-8,10-11,18,20H,6,9,12-17H2/p+1/t20-/m0/s1