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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(4-bromanylphenoxy)-N-(3-methylbutyl)propanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromophenoxy)-N-isopentyl-propanamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(4-bromophenoxy)-N-(3-methylbutyl)propanamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(4-bromophenoxy)-N-(3-methylbutyl)propanamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-2-(4-bromophenoxy)-N-isoamyl-propionamide Formula: C22H31BrN4O4 MolecularWeight: 495.40994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31BrN4O4/c1-5-6-12-27-19(24)18(20(28)25-22(27)30)26(13-11-14(2)3)21(29)15(4)31-17-9-7-16(23)8-10-17/h7-10,14-15H,5-6,11-13,24H2,1-4H3,(H,25,28,30)