9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[butyl(ethyl)amino]-2-methyl-7H-purin-8-one

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[butyl(ethyl)amino]-2-methyl-7H-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[butyl(ethyl)amino]-2-methyl-7H-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[butyl(ethyl)amino]-2-methyl-7H-purin-8-one IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[butyl(ethyl)amino]-2-methyl-7H-purin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[butyl(ethyl)amino]-2-methyl-7H-purin-8-one Formula: C21H28BrN5O MolecularWeight: 446.38392

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC2=C1NC(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1NC(=O)N2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C21H28BrN5O/c1-6-8-11-26(7-2)19-18-20(24-14(5)23-19)27(21(28)25-18)17-10-9-15(13(3)4)12-16(17)22/h9-10,12-13H,6-8,11H2,1-5H3,(H,25,28)