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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-phenyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-phenyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-phenylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-phenylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-phenyl-propionamide Formula: C23H31N5O3 MolecularWeight: 425.52394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O3/c1-3-5-10-16-27-18(13-14-19(29)24-17-11-8-7-9-12-17)25-21-20(27)22(30)26-23(31)28(21)15-6-4-2/h7-9,11-12H,3-6,10,13-16H2,1-2H3,(H,24,29)(H,26,30,31)