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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-2-(2-chloranyl-6-fluoranyl-phenyl)-N-pentyl-ethanamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-2-(2-chloro-6-fluoro-phenyl)-N-pentyl-acetamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-2-(2-chloro-6-fluorophenyl)-N-pentylacetamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-2-(2-chloro-6-fluorophenyl)-N-pentylacetamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-2-(2-chloro-6-fluoro-phenyl)acetamide Formula: C21H28ClFN4O3 MolecularWeight: 438.923423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C21H28ClFN4O3/c1-3-5-7-12-26(17(28)13-14-15(22)9-8-10-16(14)23)18-19(24)27(11-6-4-2)21(30)25-20(18)29/h8-10H,3-7,11-13,24H2,1-2H3,(H,25,29,30)