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

Systemtic Name: 9-[(2-bromanyl-3,4,5-trimethoxy-phenyl)methyl]-6-methoxy-purin-2-amine Openeye Name: 9-[(2-bromo-3,4,5-trimethoxy-phenyl)methyl]-6-methoxy-purin-2-amine CAS Name: 9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-6-methoxy-2-purinamine IUPAC Name: 9-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-6-methoxypurin-2-amine Traditional Name: [9-(2-bromo-3,4,5-trimethoxy-benzyl)-6-methoxy-purin-2-yl]amine Formula: C16H18BrN5O4 MolecularWeight: 424.24922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3OC)N)Br)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3OC)N)Br)OC)OC

InChI

InChI=1S/C16H18BrN5O4/c1-23-9-5-8(10(17)13(25-3)12(9)24-2)6-22-7-19-11-14(22)20-16(18)21-15(11)26-4/h5,7H,6H2,1-4H3,(H2,18,20,21)