9-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-6-pentan-3-yloxy-purine

Systemtic Name: 9-(2-bromanyl-4-propan-2-yl-phenyl)-2-methyl-6-pentan-3-yloxy-purine Openeye Name: 9-(2-bromo-4-isopropyl-phenyl)-6-(1-ethylpropoxy)-2-methyl-purine CAS Name: 9-(2-bromo-4-propan-2-ylphenyl)-2-methyl-6-pentan-3-yloxypurine IUPAC Name: 9-(2-bromo-4-propan-2-ylphenyl)-2-methyl-6-pentan-3-yloxypurine Traditional Name: 9-(2-bromo-4-isopropyl-phenyl)-6-(1-ethylpropoxy)-2-methyl-purine Formula: C20H25BrN4O MolecularWeight: 417.3427

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN4O/c1-6-15(7-2)26-20-18-19(23-13(5)24-20)25(11-22-18)17-9-8-14(12(3)4)10-16(17)21/h8-12,15H,6-7H2,1-5H3