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

Systemtic Name: 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-5-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 5-phenyl-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 4-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]-5-phenylthieno[2,3-d]pyrimidine IUPAC Name: 4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-5-phenylthieno[2,3-d]pyrimidine Traditional Name: 5-phenyl-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C21H25N4OS+ MolecularWeight: 381.5144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH+]2CCN(CC2)C3=C4C(=CSC4=NC=N3)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4OS/c1-2-5-16(6-3-1)18-14-27-21-19(18)20(22-15-23-21)25-10-8-24(9-11-25)13-17-7-4-12-26-17/h1-3,5-6,14-15,17H,4,7-13H2/p+1/t17-/m1/s1