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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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