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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-2-(4-bromanylphenoxy)-N-ethyl-propanamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-2-(4-bromophenoxy)-N-ethyl-propanamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-2-(4-bromophenoxy)-N-ethylpropanamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-bromophenoxy)-N-ethylpropanamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-2-(4-bromophenoxy)-N-ethyl-propionamide Formula: C22H23BrN4O4 MolecularWeight: 487.34642

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C(C)OC3=CC=C(C=C3)Br

Isomeric SMILES

CCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C(C)OC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H23BrN4O4/c1-3-26(21(29)14(2)31-17-11-9-16(23)10-12-17)18-19(24)27(22(30)25-20(18)28)13-15-7-5-4-6-8-15/h4-12,14H,3,13,24H2,1-2H3,(H,25,28,30)