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

Systemtic Name: 9-[[2-bromanyl-3,5-dimethoxy-4-(methoxymethoxy)phenyl]methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[[2-bromo-3,5-dimethoxy-4-(methoxymethoxy)phenyl]methyl]-6-chloro-purin-2-amine CAS Name: 9-[[2-bromo-3,5-dimethoxy-4-(methoxymethoxy)phenyl]methyl]-6-chloro-2-purinamine IUPAC Name: 9-[[2-bromo-3,5-dimethoxy-4-(methoxymethoxy)phenyl]methyl]-6-chloropurin-2-amine Traditional Name: [9-[2-bromo-3,5-dimethoxy-4-(methoxymethoxy)benzyl]-6-chloro-purin-2-yl]amine Formula: C16H17BrClN5O4 MolecularWeight: 458.69428

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Descriptors Computed from Structure

Canonical SMILES:

COCOC1=C(C=C(C(=C1OC)Br)CN2C=NC3=C2N=C(N=C3Cl)N)OC

Isomeric SMILES

COCOC1=C(C=C(C(=C1OC)Br)CN2C=NC3=C2N=C(N=C3Cl)N)OC

InChI

InChI=1S/C16H17BrClN5O4/c1-24-7-27-12-9(25-2)4-8(10(17)13(12)26-3)5-23-6-20-11-14(18)21-16(19)22-15(11)23/h4,6H,5,7H2,1-3H3,(H2,19,21,22)