3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-pyrazol-1-ylpropyl)propanamide

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-(3-pyrazol-1-ylpropyl)propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-(3-pyrazol-1-ylpropyl)propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[3-(1-pyrazolyl)propyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-(3-pyrazol-1-ylpropyl)propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-(3-pyrazol-1-ylpropyl)propionamide Formula: C23H35N7O3 MolecularWeight: 457.5691

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCCN3C=CC=N3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NCCCN3C=CC=N3

InChI

InChI=1S/C23H35N7O3/c1-3-5-7-17-29-18(10-11-19(31)24-12-8-14-28-15-9-13-25-28)26-21-20(29)22(32)27-23(33)30(21)16-6-4-2/h9,13,15H,3-8,10-12,14,16-17H2,1-2H3,(H,24,31)(H,27,32,33)