4-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-3-bromanyl-2,6-dimethoxy-phenol

Systemtic Name: 4-[(2-azanyl-6-chloranyl-purin-9-yl)methyl]-3-bromanyl-2,6-dimethoxy-phenol Openeye Name: 4-[(2-amino-6-chloro-purin-9-yl)methyl]-3-bromo-2,6-dimethoxy-phenol CAS Name: 4-[(2-amino-6-chloro-9-purinyl)methyl]-3-bromo-2,6-dimethoxyphenol IUPAC Name: 4-[(2-amino-6-chloropurin-9-yl)methyl]-3-bromo-2,6-dimethoxyphenol Traditional Name: 4-[(2-amino-6-chloro-purin-9-yl)methyl]-3-bromo-2,6-dimethoxy-phenol Formula: C14H13BrClN5O3 MolecularWeight: 414.64172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC)O

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC)O

InChI

InChI=1S/C14H13BrClN5O3/c1-23-7-3-6(8(15)11(24-2)10(7)22)4-21-5-18-9-12(16)19-14(17)20-13(9)21/h3,5,22H,4H2,1-2H3,(H2,17,19,20)