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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[butyl(ethyl)amino]-7-(cyclopropylmethyl)-2-methyl-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[butyl(ethyl)amino]-7-(cyclopropylmethyl)-2-methyl-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[butyl(ethyl)amino]-7-(cyclopropylmethyl)-2-methyl-8-purinone IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[butyl(ethyl)amino]-7-(cyclopropylmethyl)-2-methylpurin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[butyl(ethyl)amino]-7-(cyclopropylmethyl)-2-methyl-purin-8-one Formula: C25H34BrN5O MolecularWeight: 500.47436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC2=C1N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)CC4CC4)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1N(C(=O)N2C3=C(C=C(C=C3)C(C)C)Br)CC4CC4)C

InChI

InChI=1S/C25H34BrN5O/c1-6-8-13-29(7-2)23-22-24(28-17(5)27-23)31(25(32)30(22)15-18-9-10-18)21-12-11-19(16(3)4)14-20(21)26/h11-12,14,16,18H,6-10,13,15H2,1-5H3