2-[4-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(5,6-dimethyl-2-thiophen-2-yl-thieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(5,6-dimethyl-2-thiophen-2-yl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(5,6-dimethyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-[5,6-dimethyl-2-(2-thienyl)thieno[2,3-d]pyrimidin-4-yl]-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C22H30N5OS2+ MolecularWeight: 444.6365

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N3CCC[NH+](CC3)CC(=O)NC(C)C)C4=CC=CS4)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N3CCC[NH+](CC3)CC(=O)NC(C)C)C4=CC=CS4)C

InChI

InChI=1S/C22H29N5OS2/c1-14(2)23-18(28)13-26-8-6-9-27(11-10-26)21-19-15(3)16(4)30-22(19)25-20(24-21)17-7-5-12-29-17/h5,7,12,14H,6,8-11,13H2,1-4H3,(H,23,28)/p+1