2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]-N-(4-chlorophenyl)benzamide

Systemtic Name: 2-[[3-butyl-7-ethyl-2,6-bis(oxidanylidene)purin-8-yl]methylamino]-N-(4-chlorophenyl)benzamide Openeye Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-purin-8-yl)methylamino]-N-(4-chlorophenyl)benzamide CAS Name: 2-[(3-butyl-7-ethyl-2,6-dioxo-8-purinyl)methylamino]-N-(4-chlorophenyl)benzamide IUPAC Name: 2-[(3-butyl-7-ethyl-2,6-dioxopurin-8-yl)methylamino]-N-(4-chlorophenyl)benzamide Traditional Name: 2-[(3-butyl-7-ethyl-2,6-diketo-purin-8-yl)methylamino]-N-(4-chlorophenyl)benzamide Formula: C25H27ClN6O3 MolecularWeight: 494.97328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)Cl)CC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)CNC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)Cl)CC

InChI

InChI=1S/C25H27ClN6O3/c1-3-5-14-32-22-21(24(34)30-25(32)35)31(4-2)20(29-22)15-27-19-9-7-6-8-18(19)23(33)28-17-12-10-16(26)11-13-17/h6-13,27H,3-5,14-15H2,1-2H3,(H,28,33)(H,30,34,35)