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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(6-methoxypyridin-3-yl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(6-methoxy-3-pyridyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(6-methoxy-3-pyridinyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(6-methoxypyridin-3-yl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(6-methoxy-3-pyridyl)propionamide Formula: C22H30N6O4 MolecularWeight: 442.5114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CN=C(C=C3)OC)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CN=C(C=C3)OC)CC(C)C

InChI

InChI=1S/C22H30N6O4/c1-5-6-11-27-20-19(21(30)26-22(27)31)28(13-14(2)3)16(25-20)8-9-17(29)24-15-7-10-18(32-4)23-12-15/h7,10,12,14H,5-6,8-9,11,13H2,1-4H3,(H,24,29)(H,26,30,31)