2-[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-(5-methyl-6-phenyl-4-thieno[2,3-d]pyrimidinyl)-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-(5-methyl-6-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-(5-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-yl)piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C23H28N5OS+ MolecularWeight: 422.56632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC(=O)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(SC2=NC=NC(=C12)N3CC[NH+](CC3)CC(=O)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C23H27N5OS/c1-17-20-22(24-16-25-23(20)30-21(17)18-7-3-2-4-8-18)28-13-11-26(12-14-28)15-19(29)27-9-5-6-10-27/h2-4,7-8,16H,5-6,9-15H2,1H3/p+1