6-bromanyl-9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-amine

Systemtic Name: 6-bromanyl-9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-amine Openeye Name: 6-bromo-9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-amine CAS Name: 6-bromo-9-[(3,4,5-trimethoxyphenyl)methyl]-2-purinamine IUPAC Name: 6-bromo-9-[(3,4,5-trimethoxyphenyl)methyl]purin-2-amine Traditional Name: [6-bromo-9-(3,4,5-trimethoxybenzyl)purin-2-yl]amine Formula: C15H16BrN5O3 MolecularWeight: 394.22324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CN2C=NC3=C2N=C(N=C3Br)N

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CN2C=NC3=C2N=C(N=C3Br)N

InChI

InChI=1S/C15H16BrN5O3/c1-22-9-4-8(5-10(23-2)12(9)24-3)6-21-7-18-11-13(16)19-15(17)20-14(11)21/h4-5,7H,6H2,1-3H3,(H2,17,19,20)