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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(oxolan-2-ylmethyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(tetrahydrofuran-2-ylmethyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-(2-oxolanylmethyl)propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(oxolan-2-ylmethyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(tetrahydrofurfuryl)propionamide Formula: C22H35N5O4 MolecularWeight: 433.5444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3CCCO3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCC3CCCO3

InChI

InChI=1S/C22H35N5O4/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/h16H,3-15H2,1-2H3,(H,23,28)(H,25,29,30)