9-(2-bromanyl-4-propan-2-yl-phenyl)-N-(1-methoxypentan-3-yl)-2-methyl-purin-6-amine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N-(1-methoxypentan-3-yl)-2-methyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N-(1-ethyl-3-methoxy-propyl)-2-methyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-(1-methoxypentan-3-yl)-2-methyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-(1-methoxypentan-3-yl)-2-methylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-2-methyl-purin-6-yl]-(1-ethyl-3-methoxy-propyl)amine Formula: C21H28BrN5O MolecularWeight: 446.38392

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCOC)NC1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCC(CCOC)NC1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C21H28BrN5O/c1-6-16(9-10-28-5)26-20-19-21(25-14(4)24-20)27(12-23-19)18-8-7-15(13(2)3)11-17(18)22/h7-8,11-13,16H,6,9-10H2,1-5H3,(H,24,25,26)