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

Systemtic Name: N-[6-azanyl-2,4-bis(oxidanylidene)-1-propyl-pyrimidin-5-yl]-N-butyl-4-fluoranyl-2-iodanyl-benzamide Openeye Name: N-(6-amino-2,4-dioxo-1-propyl-pyrimidin-5-yl)-N-butyl-4-fluoro-2-iodo-benzamide CAS Name: N-(6-amino-2,4-dioxo-1-propyl-5-pyrimidinyl)-N-butyl-4-fluoro-2-iodobenzamide IUPAC Name: N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-fluoro-2-iodobenzamide Traditional Name: N-(6-amino-2,4-diketo-1-propyl-pyrimidin-5-yl)-N-butyl-4-fluoro-2-iodo-benzamide Formula: C18H22FIN4O3 MolecularWeight: 488.295153

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C=C(C=C2)F)I

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CCC)N)C(=O)C2=C(C=C(C=C2)F)I

InChI

InChI=1S/C18H22FIN4O3/c1-3-5-9-23(17(26)12-7-6-11(19)10-13(12)20)14-15(21)24(8-4-2)18(27)22-16(14)25/h6-7,10H,3-5,8-9,21H2,1-2H3,(H,22,25,27)