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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(2-pyridin-2-ylethyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[2-(2-pyridyl)ethyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[2-(2-pyridinyl)ethyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(2-pyridin-2-ylethyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[2-(2-pyridyl)ethyl]propionamide Formula: C24H34N6O3 MolecularWeight: 454.56516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCC3=CC=CC=N3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCC3=CC=CC=N3

InChI

InChI=1S/C24H34N6O3/c1-3-5-9-17-29-19(11-12-20(31)26-15-13-18-10-7-8-14-25-18)27-22-21(29)23(32)28-24(33)30(22)16-6-4-2/h7-8,10,14H,3-6,9,11-13,15-17H2,1-2H3,(H,26,31)(H,28,32,33)