3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[4-(cyanomethoxy)phenyl]propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[4-(cyanomethoxy)phenyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[4-(cyanomethoxy)phenyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[4-(cyanomethoxy)phenyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[4-(cyanomethoxy)phenyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[4-(cyanomethoxy)phenyl]propionamide Formula: C25H32N6O4 MolecularWeight: 480.55938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=C(C=C3)OCC#N

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3=CC=C(C=C3)OCC#N

InChI

InChI=1S/C25H32N6O4/c1-3-5-7-16-30-20(28-23-22(30)24(33)29-25(34)31(23)15-6-4-2)12-13-21(32)27-18-8-10-19(11-9-18)35-17-14-26/h8-11H,3-7,12-13,15-17H2,1-2H3,(H,27,32)(H,29,33,34)