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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-(2-methylpropyl)-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isobutyl-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-(2-methylpropyl)-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isobutyl-3-nitro-benzamide Formula: C19H25N5O5 MolecularWeight: 403.4323

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CC(C)C)C(=O)C2=CC(=CC=C2)[N+](=O)[O-])N

InChI

InChI=1S/C19H25N5O5/c1-4-5-9-22-16(20)15(17(25)21-19(22)27)23(11-12(2)3)18(26)13-7-6-8-14(10-13)24(28)29/h6-8,10,12H,4-5,9,11,20H2,1-3H3,(H,21,25,27)