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

Systemtic Name: 5,6-dimethyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-thieno[2,3-d]pyrimidine Openeye Name: 5,6-dimethyl-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)thieno[2,3-d]pyrimidine CAS Name: 5,6-dimethyl-4-[4-(3-pyridinylmethyl)-1-piperazin-4-iumyl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine IUPAC Name: 5,6-dimethyl-4-[4-(pyridin-3-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-ylthieno[2,3-d]pyrimidine Traditional Name: 5,6-dimethyl-4-[4-(3-pyridylmethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)thieno[2,3-d]pyrimidine Formula: C22H24N5S2+ MolecularWeight: 422.58946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=CN=CC=C4)C5=CC=CS5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC4=CN=CC=C4)C5=CC=CS5)C

InChI

InChI=1S/C22H23N5S2/c1-15-16(2)29-22-19(15)21(24-20(25-22)18-6-4-12-28-18)27-10-8-26(9-11-27)14-17-5-3-7-23-13-17/h3-7,12-13H,8-11,14H2,1-2H3/p+1