3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-quinolin-5-yl-propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-quinolin-5-yl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(5-quinolyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(5-quinolinyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-quinolin-5-ylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(5-quinolyl)propionamide Formula: C26H32N6O3 MolecularWeight: 476.57068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC4=C3C=CC=N4

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=CC4=C3C=CC=N4

InChI

InChI=1S/C26H32N6O3/c1-3-5-7-17-31-21(29-24-23(31)25(34)30-26(35)32(24)16-6-4-2)13-14-22(33)28-20-12-8-11-19-18(20)10-9-15-27-19/h8-12,15H,3-7,13-14,16-17H2,1-2H3,(H,28,33)(H,30,34,35)