9-[(2-bromanyl-4-ethoxy-3,5-dimethoxy-phenyl)methyl]-6-chloranyl-purin-2-amine

Systemtic Name: 9-[(2-bromanyl-4-ethoxy-3,5-dimethoxy-phenyl)methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[(2-bromo-4-ethoxy-3,5-dimethoxy-phenyl)methyl]-6-chloro-purin-2-amine CAS Name: 9-[(2-bromo-4-ethoxy-3,5-dimethoxyphenyl)methyl]-6-chloro-2-purinamine IUPAC Name: 9-[(2-bromo-4-ethoxy-3,5-dimethoxyphenyl)methyl]-6-chloropurin-2-amine Traditional Name: [9-(2-bromo-4-ethoxy-3,5-dimethoxy-benzyl)-6-chloro-purin-2-yl]amine Formula: C16H17BrClN5O3 MolecularWeight: 442.69488

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1OC)Br)CN2C=NC3=C2N=C(N=C3Cl)N)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1OC)Br)CN2C=NC3=C2N=C(N=C3Cl)N)OC

InChI

InChI=1S/C16H17BrClN5O3/c1-4-26-12-9(24-2)5-8(10(17)13(12)25-3)6-23-7-20-11-14(18)21-16(19)22-15(11)23/h5,7H,4,6H2,1-3H3,(H2,19,21,22)