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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(azepan-1-ium-1-yl)-N-(phenylmethyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-benzyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(1-azepan-1-iumyl)-N-(phenylmethyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-benzylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(azepan-1-ium-1-yl)-N-benzyl-acetamide Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCCCCC3)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC2=CC=CC=C2)C(=O)C[NH+]3CCCCCC3)N

InChI

InChI=1S/C23H33N5O3/c1-2-3-15-27-21(24)20(22(30)25-23(27)31)28(16-18-11-7-6-8-12-18)19(29)17-26-13-9-4-5-10-14-26/h6-8,11-12H,2-5,9-10,13-17,24H2,1H3,(H,25,30,31)/p+1