N-cyclopropyl-2-[4-(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-cyclopropyl-2-[4-(5,6-dimethyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-cyclopropyl-2-[4-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide CAS Name: N-cyclopropyl-2-[4-[5,6-dimethyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-cyclopropyl-2-[4-(5,6-dimethyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-cyclopropyl-2-[4-[5,6-dimethyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-ium-1-yl]acetamide Formula: C22H27N6OS+ MolecularWeight: 423.55438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC(=O)NC4CC4)C5=CN=CC=C5)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CC[NH+](CC3)CC(=O)NC4CC4)C5=CN=CC=C5)C

InChI

InChI=1S/C22H26N6OS/c1-14-15(2)30-22-19(14)21(25-20(26-22)16-4-3-7-23-12-16)28-10-8-27(9-11-28)13-18(29)24-17-5-6-17/h3-4,7,12,17H,5-6,8-11,13H2,1-2H3,(H,24,29)/p+1