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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-methyl-N-(3-methylbutyl)-3-nitro-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-isopentyl-2-methyl-3-nitro-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-methyl-N-(3-methylbutyl)-3-nitrobenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-methyl-N-(3-methylbutyl)-3-nitrobenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-isoamyl-2-methyl-3-nitro-benzamide Formula: C21H29N5O5 MolecularWeight: 431.48546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N5O5/c1-5-6-11-25-18(22)17(19(27)23-21(25)29)24(12-10-13(2)3)20(28)15-8-7-9-16(14(15)4)26(30)31/h7-9,13H,5-6,10-12,22H2,1-4H3,(H,23,27,29)