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

Systemtic Name: 5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(1-pyrrolidin-1-iumylmethyl)thieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-(4-pyridin-1-ium-2-ylpiperazino)-2-(pyrrolidin-1-ium-1-ylmethyl)thieno[2,3-d]pyrimidine Formula: C22H30N6S+2 MolecularWeight: 410.5788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=[NH+]4)C[NH+]5CCCC5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCN(CC3)C4=CC=CC=[NH+]4)C[NH+]5CCCC5)C

InChI

InChI=1S/C22H28N6S/c1-16-17(2)29-22-20(16)21(24-18(25-22)15-26-9-5-6-10-26)28-13-11-27(12-14-28)19-7-3-4-8-23-19/h3-4,7-8H,5-6,9-15H2,1-2H3/p+2