N-[5-[1-[3-butyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-2-phenyl-ethyl]pyridin-2-yl]ethanamide

Systemtic Name: N-[5-[1-[3-butyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]-2-phenyl-ethyl]pyridin-2-yl]ethanamide Openeye Name: N-[5-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)-2-phenyl-ethyl]-2-pyridyl]acetamide CAS Name: N-[5-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)-2-phenylethyl]-2-pyridinyl]acetamide IUPAC Name: N-[5-[1-(3-butyl-2,6-dioxo-7H-purin-8-yl)-2-phenylethyl]pyridin-2-yl]acetamide Traditional Name: N-[5-[1-(3-butyl-2,6-diketo-7H-purin-8-yl)-2-phenyl-ethyl]-2-pyridyl]acetamide Formula: C24H26N6O3 MolecularWeight: 446.50164

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)C(CC3=CC=CC=C3)C4=CN=C(C=C4)NC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)NC(=N2)C(CC3=CC=CC=C3)C4=CN=C(C=C4)NC(=O)C

InChI

InChI=1S/C24H26N6O3/c1-3-4-12-30-22-20(23(32)29-24(30)33)27-21(28-22)18(13-16-8-6-5-7-9-16)17-10-11-19(25-14-17)26-15(2)31/h5-11,14,18H,3-4,12-13H2,1-2H3,(H,27,28)(H,25,26,31)(H,29,32,33)