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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C(C)OC2=CC=C(C=C2)Br)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)C(C)OC2=CC=C(C=C2)Br)N

InChI

InChI=1S/C21H29BrN4O4/c1-4-6-12-25(20(28)14(3)30-16-10-8-15(22)9-11-16)17-18(23)26(13-7-5-2)21(29)24-19(17)27/h8-11,14H,4-7,12-13,23H2,1-3H3,(H,24,27,29)