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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-cyclopropyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-cyclopropyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-cyclopropylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-cyclopropylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-cyclopropyl-propionamide Formula: C20H31N5O3 MolecularWeight: 389.49184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3CC3

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)NC3CC3

InChI

InChI=1S/C20H31N5O3/c1-3-5-7-13-24-15(10-11-16(26)21-14-8-9-14)22-18-17(24)19(27)23-20(28)25(18)12-6-4-2/h14H,3-13H2,1-2H3,(H,21,26)(H,23,27,28)