9-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-N-ethyl-2-methyl-purin-6-amine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-N-ethyl-2-methyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N-butyl-N-ethyl-2-methyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-N-ethyl-2-methyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-N-ethyl-2-methylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-2-methyl-purin-6-yl]-butyl-ethyl-amine Formula: C21H28BrN5 MolecularWeight: 430.38452

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C21H28BrN5/c1-6-8-11-26(7-2)20-19-21(25-15(5)24-20)27(13-23-19)18-10-9-16(14(3)4)12-17(18)22/h9-10,12-14H,6-8,11H2,1-5H3