N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-5-bromanyl-N-butyl-2-fluoranyl-benzamide

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-(phenylmethyl)pyrimidin-5-yl]-5-bromanyl-N-butyl-2-fluoranyl-benzamide Openeye Name: N-(6-amino-1-benzyl-2,4-dioxo-pyrimidin-5-yl)-5-bromo-N-butyl-2-fluoro-benzamide CAS Name: N-[6-amino-2,4-dioxo-1-(phenylmethyl)-5-pyrimidinyl]-5-bromo-N-butyl-2-fluorobenzamide IUPAC Name: N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butyl-2-fluorobenzamide Traditional Name: N-(6-amino-1-benzyl-2,4-diketo-pyrimidin-5-yl)-5-bromo-N-butyl-2-fluoro-benzamide Formula: C22H22BrFN4O3 MolecularWeight: 489.337483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C=CC(=C3)Br)F

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)C3=C(C=CC(=C3)Br)F

InChI

InChI=1S/C22H22BrFN4O3/c1-2-3-11-27(21(30)16-12-15(23)9-10-17(16)24)18-19(25)28(22(31)26-20(18)29)13-14-7-5-4-6-8-14/h4-10,12H,2-3,11,13,25H2,1H3,(H,26,29,31)