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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(3-bromanylphenoxy)-N-(3-methylbutyl)ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(3-bromophenoxy)-N-isopentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(3-bromophenoxy)-N-(3-methylbutyl)acetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(3-bromophenoxy)-N-(3-methylbutyl)acetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(3-bromophenoxy)-N-isoamyl-acetamide Formula: C21H29BrN4O4 MolecularWeight: 481.38336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC2=CC(=CC=C2)Br)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCC(C)C)C(=O)COC2=CC(=CC=C2)Br)N

InChI

InChI=1S/C21H29BrN4O4/c1-4-5-10-26-19(23)18(20(28)24-21(26)29)25(11-9-14(2)3)17(27)13-30-16-8-6-7-15(22)12-16/h6-8,12,14H,4-5,9-11,13,23H2,1-3H3,(H,24,28,29)