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

Systemtic Name: 3-[3-butyl-2,6-bis(oxidanylidene)-7-pentyl-purin-8-yl]-N-[4-(2-cyanopropan-2-yl)phenyl]propanamide Openeye Name: 3-(3-butyl-2,6-dioxo-7-pentyl-purin-8-yl)-N-[4-(1-cyano-1-methyl-ethyl)phenyl]propanamide CAS Name: 3-(3-butyl-2,6-dioxo-7-pentyl-8-purinyl)-N-[4-(2-cyanopropan-2-yl)phenyl]propanamide IUPAC Name: 3-(3-butyl-2,6-dioxo-7-pentylpurin-8-yl)-N-[4-(2-cyanopropan-2-yl)phenyl]propanamide Traditional Name: 3-(7-amyl-3-butyl-2,6-diketo-purin-8-yl)-N-[4-(1-cyano-1-methyl-ethyl)phenyl]propionamide Formula: C27H36N6O3 MolecularWeight: 492.61314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N6O3/c1-5-7-9-17-32-21(30-24-23(32)25(35)31-26(36)33(24)16-8-6-2)14-15-22(34)29-20-12-10-19(11-13-20)27(3,4)18-28/h10-13H,5-9,14-17H2,1-4H3,(H,29,34)(H,31,35,36)