N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-methylbutyl)-2-nitro-benzamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-N-(3-methylbutyl)-2-nitro-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-nitro-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-N-(3-methylbutyl)-2-nitrobenzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)-2-nitrobenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-2-nitro-benzamide Formula: C23H25N5O5 MolecularWeight: 451.4751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O5/c1-15(2)12-13-26(22(30)17-10-6-7-11-18(17)28(32)33)19-20(24)27(23(31)25-21(19)29)14-16-8-4-3-5-9-16/h3-11,15H,12-14,24H2,1-2H3,(H,25,29,31)