N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-cyclopentyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-cyclopentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-cyclopentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1-azepan-1-iumyl)-N-cyclopentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-cyclopentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-cyclopentyl-acetamide Formula: C21H36N5O3+ MolecularWeight: 406.54224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C[NH+]3CCCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(C2CCCC2)C(=O)C[NH+]3CCCCCC3)N

InChI

InChI=1S/C21H35N5O3/c1-2-3-14-25-19(22)18(20(28)23-21(25)29)26(16-10-6-7-11-16)17(27)15-24-12-8-4-5-9-13-24/h16H,2-15,22H2,1H3,(H,23,28,29)/p+1