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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-phenethyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-phenethyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-phenethylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-phenethylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-phenethyl-propionamide Formula: C25H35N5O3 MolecularWeight: 453.5771

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H35N5O3/c1-3-5-10-18-29-20(13-14-21(31)26-16-15-19-11-8-7-9-12-19)27-23-22(29)24(32)28-25(33)30(23)17-6-4-2/h7-9,11-12H,3-6,10,13-18H2,1-2H3,(H,26,31)(H,28,32,33)