(2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: (2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: (2-ethyl-4,5-dimethyl-6-thieno[2,3-d]pyrimidinyl)-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: (2-ethyl-4,5-dimethylthieno[2,3-d]pyrimidin-6-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: (2-ethyl-4,5-dimethyl-thieno[2,3-d]pyrimidin-6-yl)-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C23H29N4OS+ MolecularWeight: 409.56756

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=C(SC2=N1)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)C)C

Isomeric SMILES

CCC1=NC(=C2C(=C(SC2=N1)C(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4)C)C

InChI

InChI=1S/C23H28N4OS/c1-4-19-24-17(3)20-16(2)21(29-22(20)25-19)23(28)27-14-12-26(13-15-27)11-10-18-8-6-5-7-9-18/h5-9H,4,10-15H2,1-3H3/p+1