3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(thiophen-2-ylmethyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(thiophen-2-ylmethyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(2-thienylmethyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(thiophen-2-ylmethyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(thiophen-2-ylmethyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(2-thenyl)propionamide Formula: C22H31N5O3S MolecularWeight: 445.57824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=CS3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H31N5O3S/c1-3-5-7-13-26-17(10-11-18(28)23-15-16-9-8-14-31-16)24-20-19(26)21(29)25-22(30)27(20)12-6-4-2/h8-9,14H,3-7,10-13,15H2,1-2H3,(H,23,28)(H,25,29,30)