2-[4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide

Systemtic Name: 2-[4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-prop-2-enyl-ethanamide Openeye Name: N-allyl-2-[4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(2-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-N-prop-2-enylacetamide IUPAC Name: 2-[4-(2-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-N-prop-2-enylacetamide Traditional Name: N-allyl-2-[4-(2-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]acetamide Formula: C22H26N5OS+ MolecularWeight: 408.53974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N5OS/c1-3-9-23-20(28)15-26-10-12-27(13-11-26)21-18-14-19(17-7-5-4-6-8-17)29-22(18)25-16(2)24-21/h3-8,14H,1,9-13,15H2,2H3,(H,23,28)/p+1