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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N,N-diethyl-propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N,N-diethyl-propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N,N-diethylpropanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N,N-diethylpropanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N,N-diethyl-propionamide Formula: C21H35N5O3 MolecularWeight: 405.5343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC)CC

Isomeric SMILES

CCCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(CC)CC

InChI

InChI=1S/C21H35N5O3/c1-5-9-11-15-25-16(12-13-17(27)24(7-3)8-4)22-19-18(25)20(28)23-21(29)26(19)14-10-6-2/h5-15H2,1-4H3,(H,23,28,29)