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

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(2-hydroxyphenyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-(2-hydroxyphenyl)propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(2-hydroxyphenyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(2-hydroxyphenyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-(2-hydroxyphenyl)propionamide Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3O)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC3=CC=CC=C3O)CC(C)C

InChI

InChI=1S/C22H29N5O4/c1-4-5-12-26-20-19(21(30)25-22(26)31)27(13-14(2)3)17(24-20)10-11-18(29)23-15-8-6-7-9-16(15)28/h6-9,14,28H,4-5,10-13H2,1-3H3,(H,23,29)(H,25,30,31)