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

Systemtic Name: N-(2-bromanyl-4-propan-2-yl-phenyl)-9-heptan-3-yl-2-methyl-purin-6-amine Openeye Name: N-(2-bromo-4-isopropyl-phenyl)-9-(1-ethylpentyl)-2-methyl-purin-6-amine CAS Name: N-(2-bromo-4-propan-2-ylphenyl)-9-heptan-3-yl-2-methyl-6-purinamine IUPAC Name: N-(2-bromo-4-propan-2-ylphenyl)-9-heptan-3-yl-2-methylpurin-6-amine Traditional Name: (2-bromo-4-isopropyl-phenyl)-[9-(1-ethylpentyl)-2-methyl-purin-6-yl]amine Formula: C22H30BrN5 MolecularWeight: 444.4111

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)N1C=NC2=C1N=C(N=C2NC3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCCCC(CC)N1C=NC2=C1N=C(N=C2NC3=C(C=C(C=C3)C(C)C)Br)C

InChI

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