3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(4-fluoranyl-3-nitro-phenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(4-fluoro-3-nitro-phenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(4-fluoro-3-nitrophenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(4-fluoro-3-nitrophenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(4-fluoro-3-nitro-phenyl)propionamide Formula: C23H29FN6O5 MolecularWeight: 488.511963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C23H29FN6O5/c1-3-5-7-13-28-18(26-21-20(28)22(32)27-23(33)29(21)12-6-4-2)10-11-19(31)25-15-8-9-16(24)17(14-15)30(34)35/h8-9,14H,3-7,10-13H2,1-2H3,(H,25,31)(H,27,32,33)