3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(5-methylpyridin-2-yl)propanamide

Systemtic Name: 3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-(5-methylpyridin-2-yl)propanamide Openeye Name: 3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-(5-methyl-2-pyridyl)propanamide CAS Name: 3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-(5-methyl-2-pyridinyl)propanamide IUPAC Name: 3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-(5-methylpyridin-2-yl)propanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-(5-methyl-2-pyridyl)propionamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC=C(C=C3)C

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=NC=C(C=C3)C

InChI

InChI=1S/C22H30N6O3/c1-4-6-12-27-17(10-11-18(29)24-16-9-8-15(3)14-23-16)25-20-19(27)21(30)26-22(31)28(20)13-7-5-2/h8-9,14H,4-7,10-13H2,1-3H3,(H,23,24,29)(H,26,30,31)