N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(2-nitropyridin-3-yl)oxy-ethanamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-butyl-2-(2-nitropyridin-3-yl)oxy-ethanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-[(2-nitro-3-pyridyl)oxy]acetamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-butyl-2-[(2-nitro-3-pyridinyl)oxy]acetamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-2-(2-nitropyridin-3-yl)oxyacetamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-[(2-nitro-3-pyridyl)oxy]acetamide Formula: C22H24N6O6 MolecularWeight: 468.46256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N6O6/c1-2-3-12-26(17(29)14-34-16-10-7-11-24-20(16)28(32)33)18-19(23)27(22(31)25-21(18)30)13-15-8-5-4-6-9-15/h4-11H,2-3,12-14,23H2,1H3,(H,25,30,31)