3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-ethanoylphenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-ethanoylphenyl)propanamide Openeye Name: N-(3-acetylphenyl)-3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)propanamide CAS Name: N-(3-acetylphenyl)-3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)propanamide IUPAC Name: N-(3-acetylphenyl)-3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)propanamide Traditional Name: N-(3-acetylphenyl)-3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)propionamide Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C25H33N5O4/c1-4-6-8-15-29-20(12-13-21(32)26-19-11-9-10-18(16-19)17(3)31)27-23-22(29)24(33)28-25(34)30(23)14-7-5-2/h9-11,16H,4-8,12-15H2,1-3H3,(H,26,32)(H,28,33,34)