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

Systemtic Name: N-[6-azanyl-1-butyl-2,4-bis(oxidanylidene)pyrimidin-5-yl]-5-chloranyl-2-fluoranyl-N-pentyl-benzamide Openeye Name: N-(6-amino-1-butyl-2,4-dioxo-pyrimidin-5-yl)-5-chloro-2-fluoro-N-pentyl-benzamide CAS Name: N-(6-amino-1-butyl-2,4-dioxo-5-pyrimidinyl)-5-chloro-2-fluoro-N-pentylbenzamide IUPAC Name: N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-chloro-2-fluoro-N-pentylbenzamide Traditional Name: N-(6-amino-1-butyl-2,4-diketo-pyrimidin-5-yl)-N-amyl-5-chloro-2-fluoro-benzamide Formula: C20H26ClFN4O3 MolecularWeight: 424.896843

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=C(C=CC(=C2)Cl)F

Isomeric SMILES

CCCCCN(C1=C(N(C(=O)NC1=O)CCCC)N)C(=O)C2=C(C=CC(=C2)Cl)F

InChI

InChI=1S/C20H26ClFN4O3/c1-3-5-7-11-25(19(28)14-12-13(21)8-9-15(14)22)16-17(23)26(10-6-4-2)20(29)24-18(16)27/h8-9,12H,3-7,10-11,23H2,1-2H3,(H,24,27,29)