5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine

Systemtic Name: 5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-4-[4-(2-thienylsulfonyl)piperazin-1-yl]thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-2-(1-pyrrolidin-1-iumylmethyl)-4-(4-thiophen-2-ylsulfonyl-1-piperazinyl)thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-4-(4-thiophen-2-ylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-2-(pyrrolidin-1-ium-1-ylmethyl)-4-[4-(2-thienylsulfonyl)piperazino]thieno[2,3-d]pyrimidine Formula: C21H28N5O2S3+ MolecularWeight: 478.67432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)S(=O)(=O)C4=CC=CS4)C[NH+]5CCCC5)C

InChI

InChI=1S/C21H27N5O2S3/c1-15-16(2)30-21-19(15)20(22-17(23-21)14-24-7-3-4-8-24)25-9-11-26(12-10-25)31(27,28)18-6-5-13-29-18/h5-6,13H,3-4,7-12,14H2,1-2H3/p+1