3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-chloranyl-4-cyano-phenyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-chloranyl-4-cyano-phenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(3-chloro-4-cyano-phenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(3-chloro-4-cyanophenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(3-chloro-4-cyanophenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(3-chloro-4-cyano-phenyl)propionamide Formula: C24H29ClN6O3 MolecularWeight: 484.97846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H29ClN6O3/c1-3-5-7-13-30-19(10-11-20(32)27-17-9-8-16(15-26)18(25)14-17)28-22-21(30)23(33)29-24(34)31(22)12-6-4-2/h8-9,14H,3-7,10-13H2,1-2H3,(H,27,32)(H,29,33,34)