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

Systemtic Name: 6-(4-chlorophenyl)-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine Openeye Name: 6-(4-chlorophenyl)-4-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine CAS Name: 6-(4-chlorophenyl)-4-[4-[[(2S)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]thieno[3,2-d]pyrimidine IUPAC Name: 6-(4-chlorophenyl)-4-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine Traditional Name: 6-(4-chlorophenyl)-4-[4-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]thieno[3,2-d]pyrimidine Formula: C21H24ClN4OS+ MolecularWeight: 415.95946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C3=NC=NC4=C3SC(=C4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C[C@H](OC1)C[NH+]2CCN(CC2)C3=NC=NC4=C3SC(=C4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H23ClN4OS/c22-16-5-3-15(4-6-16)19-12-18-20(28-19)21(24-14-23-18)26-9-7-25(8-10-26)13-17-2-1-11-27-17/h3-6,12,14,17H,1-2,7-11,13H2/p+1/t17-/m0/s1