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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-[butyl(ethyl)amino]-2,7-dimethyl-purin-8-one Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[butyl(ethyl)amino]-2,7-dimethyl-purin-8-one CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[butyl(ethyl)amino]-2,7-dimethyl-8-purinone IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-[butyl(ethyl)amino]-2,7-dimethylpurin-8-one Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[butyl(ethyl)amino]-2,7-dimethyl-purin-8-one Formula: C22H30BrN5O MolecularWeight: 460.4105

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrN5O/c1-7-9-12-27(8-2)20-19-21(25-15(5)24-20)28(22(29)26(19)6)18-11-10-16(14(3)4)13-17(18)23/h10-11,13-14H,7-9,12H2,1-6H3