2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(6-ethyl-4-thieno[2,3-d]pyrimidinyl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1,4-diazepan-1-ium-1-yl]-N-isopropyl-acetamide Formula: C18H28N5OS+ MolecularWeight: 362.51282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(N=CN=C2S1)N3CCC[NH+](CC3)CC(=O)NC(C)C

Isomeric SMILES

CCC1=CC2=C(N=CN=C2S1)N3CCC[NH+](CC3)CC(=O)NC(C)C

InChI

InChI=1S/C18H27N5OS/c1-4-14-10-15-17(19-12-20-18(15)25-14)23-7-5-6-22(8-9-23)11-16(24)21-13(2)3/h10,12-13H,4-9,11H2,1-3H3,(H,21,24)/p+1