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

Systemtic Name: 9-[(2-bromanyl-4-butoxy-3,5-dimethoxy-phenyl)methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[(2-bromo-4-butoxy-3,5-dimethoxy-phenyl)methyl]-6-chloro-purin-2-amine CAS Name: 9-[(2-bromo-4-butoxy-3,5-dimethoxyphenyl)methyl]-6-chloro-2-purinamine IUPAC Name: 9-[(2-bromo-4-butoxy-3,5-dimethoxyphenyl)methyl]-6-chloropurin-2-amine Traditional Name: [9-(2-bromo-4-butoxy-3,5-dimethoxy-benzyl)-6-chloro-purin-2-yl]amine Formula: C18H21BrClN5O3 MolecularWeight: 470.74804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C(=C1OC)Br)CN2C=NC3=C2N=C(N=C3Cl)N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C(=C1OC)Br)CN2C=NC3=C2N=C(N=C3Cl)N)OC

InChI

InChI=1S/C18H21BrClN5O3/c1-4-5-6-28-14-11(26-2)7-10(12(19)15(14)27-3)8-25-9-22-13-16(20)23-18(21)24-17(13)25/h7,9H,4-6,8H2,1-3H3,(H2,21,23,24)