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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-chlorophenyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(3-chlorophenyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(3-chlorophenyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(3-chlorophenyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(3-chlorophenyl)propionamide Formula: C23H30ClN5O3 MolecularWeight: 459.969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30ClN5O3/c1-3-5-7-14-28-18(11-12-19(30)25-17-10-8-9-16(24)15-17)26-21-20(28)22(31)27-23(32)29(21)13-6-4-2/h8-10,15H,3-7,11-14H2,1-2H3,(H,25,30)(H,27,31,32)