9-(2-bromanyl-4-propan-2-yl-phenyl)-6-(1-methoxybutan-2-yloxy)-2-methyl-purine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-6-(1-methoxybutan-2-yloxy)-2-methyl-purine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[1-(methoxymethyl)propoxy]-2-methyl-purine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-(1-methoxybutan-2-yloxy)-2-methylpurine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-6-(1-methoxybutan-2-yloxy)-2-methylpurine Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-[1-(methoxymethyl)propoxy]-2-methyl-purine Formula: C20H25BrN4O2 MolecularWeight: 433.3421

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC)OC1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

Isomeric SMILES

CCC(COC)OC1=NC(=NC2=C1N=CN2C3=C(C=C(C=C3)C(C)C)Br)C

InChI

InChI=1S/C20H25BrN4O2/c1-6-15(10-26-5)27-20-18-19(23-13(4)24-20)25(11-22-18)17-8-7-14(12(2)3)9-16(17)21/h7-9,11-12,15H,6,10H2,1-5H3