N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanyl-ethanamide

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-(4-ethanoyl-2-fluoranyl-phenyl)sulfanyl-ethanamide Openeye Name: 2-(4-acetyl-2-fluoro-phenyl)sulfanyl-N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-acetamide CAS Name: 2-[(4-acetyl-2-fluorophenyl)thio]-N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-N-butylacetamide IUPAC Name: 2-(4-acetyl-2-fluorophenyl)sulfanyl-N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylacetamide Traditional Name: 2-[(4-acetyl-2-fluoro-phenyl)thio]-N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-acetamide Formula: C22H29FN4O4S MolecularWeight: 464.553463

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSC2=C(C=C(C=C2)C(=O)C)F)N

Isomeric SMILES

CCCCN1C(=C(C(=O)NC1=O)N(CCCC)C(=O)CSC2=C(C=C(C=C2)C(=O)C)F)N

InChI

InChI=1S/C22H29FN4O4S/c1-4-6-10-26(19-20(24)27(11-7-5-2)22(31)25-21(19)30)18(29)13-32-17-9-8-15(14(3)28)12-16(17)23/h8-9,12H,4-7,10-11,13,24H2,1-3H3,(H,25,30,31)