2-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]-N-(3-chlorophenyl)ethanamide

Systemtic Name: 2-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-1-yl]-N-(3-chlorophenyl)ethanamide Openeye Name: 2-(7-butyl-2,6-dioxo-3-propyl-purin-1-yl)-N-(3-chlorophenyl)acetamide CAS Name: 2-(7-butyl-2,6-dioxo-3-propyl-1-purinyl)-N-(3-chlorophenyl)acetamide IUPAC Name: 2-(7-butyl-2,6-dioxo-3-propylpurin-1-yl)-N-(3-chlorophenyl)acetamide Traditional Name: 2-(7-butyl-2,6-diketo-3-propyl-purin-1-yl)-N-(3-chlorophenyl)acetamide Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCC)CC(=O)NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C20H24ClN5O3/c1-3-5-10-24-13-22-18-17(24)19(28)26(20(29)25(18)9-4-2)12-16(27)23-15-8-6-7-14(21)11-15/h6-8,11,13H,3-5,9-10,12H2,1-2H3,(H,23,27)