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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(5-chloranylpyridin-2-yl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(5-chloro-2-pyridyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(5-chloro-2-pyridinyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(5-chloropyridin-2-yl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(5-chloro-2-pyridyl)propionamide Formula: C22H29ClN6O3 MolecularWeight: 460.95706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29ClN6O3/c1-3-5-7-13-28-17(10-11-18(30)25-16-9-8-15(23)14-24-16)26-20-19(28)21(31)27-22(32)29(20)12-6-4-2/h8-9,14H,3-7,10-13H2,1-2H3,(H,24,25,30)(H,27,31,32)