3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-thiophen-2-ylethyl)propanamide

Systemtic Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-8-yl]-N-(1-thiophen-2-ylethyl)propanamide Openeye Name: 3-(3-butyl-7-isobutyl-2,6-dioxo-purin-8-yl)-N-[1-(2-thienyl)ethyl]propanamide CAS Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxo-8-purinyl]-N-(1-thiophen-2-ylethyl)propanamide IUPAC Name: 3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-(1-thiophen-2-ylethyl)propanamide Traditional Name: 3-(3-butyl-7-isobutyl-2,6-diketo-purin-8-yl)-N-[1-(2-thienyl)ethyl]propionamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC(C)C3=CC=CS3)CC(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CCC(=O)NC(C)C3=CC=CS3)CC(C)C

InChI

InChI=1S/C22H31N5O3S/c1-5-6-11-26-20-19(21(29)25-22(26)30)27(13-14(2)3)17(24-20)9-10-18(28)23-15(4)16-8-7-12-31-16/h7-8,12,14-15H,5-6,9-11,13H2,1-4H3,(H,23,28)(H,25,29,30)