9-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-8-chloranyl-N-ethyl-2-methyl-purin-6-amine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-8-chloranyl-N-ethyl-2-methyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N-butyl-8-chloro-N-ethyl-2-methyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-8-chloro-N-ethyl-2-methyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-8-chloro-N-ethyl-2-methylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-8-chloro-2-methyl-purin-6-yl]-butyl-ethyl-amine Formula: C21H27BrClN5 MolecularWeight: 464.82958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrClN5/c1-6-8-11-27(7-2)19-18-20(25-14(5)24-19)28(21(23)26-18)17-10-9-15(13(3)4)12-16(17)22/h9-10,12-13H,6-8,11H2,1-5H3