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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C(C)OC2=CC=C(C=C2)Br

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)[C@H](C)OC2=CC=C(C=C2)Br

InChI

InChI=1S/C22H31BrN4O4/c1-4-6-8-14-26(21(29)15(3)31-17-11-9-16(23)10-12-17)18-19(24)27(13-7-5-2)22(30)25-20(18)28/h9-12,15H,4-8,13-14,24H2,1-3H3,(H,25,28,30)/t15-/m0/s1