9-(2-bromanyl-4-propan-2-yl-phenyl)-N-hexan-3-yl-2-methyl-purin-6-amine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N-hexan-3-yl-2-methyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N-(1-ethylbutyl)-2-methyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-hexan-3-yl-2-methyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-hexan-3-yl-2-methylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-2-methyl-purin-6-yl]-(1-ethylbutyl)amine Formula: C21H28BrN5 MolecularWeight: 430.38452

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)NC1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCC(CC)NC1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

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