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

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-N-(1-methoxybutan-2-yl)-2-methyl-purin-6-amine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-N-[1-(methoxymethyl)propyl]-2-methyl-purin-6-amine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-(1-methoxybutan-2-yl)-2-methyl-6-purinamine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-N-(1-methoxybutan-2-yl)-2-methylpurin-6-amine Traditional Name: [9-(2-bromo-4-isopropyl-phenyl)-2-methyl-purin-6-yl]-[1-(methoxymethyl)propyl]amine Formula: C20H26BrN5O MolecularWeight: 432.35734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26BrN5O/c1-6-15(10-27-5)25-19-18-20(24-13(4)23-19)26(11-22-18)17-8-7-14(12(2)3)9-16(17)21/h7-9,11-12,15H,6,10H2,1-5H3,(H,23,24,25)