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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(3-methylpyridin-2-yl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(3-methyl-2-pyridyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(3-methyl-2-pyridinyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(3-methylpyridin-2-yl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(3-methyl-2-pyridyl)propionamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=CC=N3)C)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=C(C=CC=N3)C)CC(C)C

InChI

InChI=1S/C22H30N6O3/c1-5-6-12-27-20-18(21(30)26-22(27)31)28(13-14(2)3)16(24-20)9-10-17(29)25-19-15(4)8-7-11-23-19/h7-8,11,14H,5-6,9-10,12-13H2,1-4H3,(H,23,25,29)(H,26,30,31)