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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N-butyl-N-ethyl-2,8-dimethyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N-butyl-N-ethyl-2,8-dimethyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-N-ethyl-2,8-dimethyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-butyl-N-ethyl-2,8-dimethylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-2,8-dimethyl-purin-6-yl]-butyl-ethyl-amine Formula: C22H30BrN5 MolecularWeight: 444.4111

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrN5/c1-7-9-12-27(8-2)21-20-22(25-15(5)24-21)28(16(6)26-20)19-11-10-17(14(3)4)13-18(19)23/h10-11,13-14H,7-9,12H2,1-6H3