3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]-N-(4-cyanophenyl)propanamide

Systemtic Name: 3-[7-butyl-2,6-bis(oxidanylidene)-3-propyl-purin-8-yl]-N-(4-cyanophenyl)propanamide Openeye Name: 3-(7-butyl-2,6-dioxo-3-propyl-purin-8-yl)-N-(4-cyanophenyl)propanamide CAS Name: 3-(7-butyl-2,6-dioxo-3-propyl-8-purinyl)-N-(4-cyanophenyl)propanamide IUPAC Name: 3-(7-butyl-2,6-dioxo-3-propylpurin-8-yl)-N-(4-cyanophenyl)propanamide Traditional Name: 3-(7-butyl-2,6-diketo-3-propyl-purin-8-yl)-N-(4-cyanophenyl)propionamide Formula: C22H26N6O3 MolecularWeight: 422.48024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCC)CCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H26N6O3/c1-3-5-13-27-17(10-11-18(29)24-16-8-6-15(14-23)7-9-16)25-20-19(27)21(30)26-22(31)28(20)12-4-2/h6-9H,3-5,10-13H2,1-2H3,(H,24,29)(H,26,30,31)