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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-methoxy-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-methoxy-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-methoxypropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-methoxypropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-methoxy-propionamide Formula: C18H29N5O4 MolecularWeight: 379.45396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O4/c1-4-6-8-12-22-13(9-10-14(24)21-27-3)19-16-15(22)17(25)20-18(26)23(16)11-7-5-2/h4-12H2,1-3H3,(H,21,24)(H,20,25,26)