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

Systemtic Name: 2-methyl-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-6-phenyl-thieno[2,3-d]pyrimidine Openeye Name: 2-methyl-6-phenyl-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine CAS Name: 2-methyl-4-[4-[[(2R)-2-oxolanyl]methyl]-1-piperazin-4-iumyl]-6-phenylthieno[2,3-d]pyrimidine IUPAC Name: 2-methyl-4-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-4-ium-1-yl]-6-phenylthieno[2,3-d]pyrimidine Traditional Name: 2-methyl-6-phenyl-4-[4-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazin-4-ium-1-yl]thieno[2,3-d]pyrimidine Formula: C22H27N4OS+ MolecularWeight: 395.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)CC5CCCO5

Isomeric SMILES

CC1=NC(=C2C=C(SC2=N1)C3=CC=CC=C3)N4CC[NH+](CC4)C[C@H]5CCCO5

InChI

InChI=1S/C22H26N4OS/c1-16-23-21(26-11-9-25(10-12-26)15-18-8-5-13-27-18)19-14-20(28-22(19)24-16)17-6-3-2-4-7-17/h2-4,6-7,14,18H,5,8-13,15H2,1H3/p+1/t18-/m1/s1