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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-ethyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-ethyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1-azepan-1-iumyl)-N-ethylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-ethylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-ethyl-acetamide Formula: C18H32N5O3+ MolecularWeight: 366.47838

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CCCCCC2)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC)C(=O)C[NH+]2CCCCCC2)N

InChI

InChI=1S/C18H31N5O3/c1-3-5-12-23-16(19)15(17(25)20-18(23)26)22(4-2)14(24)13-21-10-8-6-7-9-11-21/h3-13,19H2,1-2H3,(H,20,25,26)/p+1