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

Systemtic Name: 9-[[2-bromanyl-4-(2-chloroethyloxy)-3,5-dimethoxy-phenyl]methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[[2-bromo-4-(2-chloroethoxy)-3,5-dimethoxy-phenyl]methyl]-6-chloro-purin-2-amine CAS Name: 9-[[2-bromo-4-(2-chloroethoxy)-3,5-dimethoxyphenyl]methyl]-6-chloro-2-purinamine IUPAC Name: 9-[[2-bromo-4-(2-chloroethoxy)-3,5-dimethoxyphenyl]methyl]-6-chloropurin-2-amine Traditional Name: [9-[2-bromo-4-(2-chloroethoxy)-3,5-dimethoxy-benzyl]-6-chloro-purin-2-yl]amine Formula: C16H16BrCl2N5O3 MolecularWeight: 477.13994

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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)OCCCl

Isomeric SMILES

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

InChI

InChI=1S/C16H16BrCl2N5O3/c1-25-9-5-8(10(17)13(26-2)12(9)27-4-3-18)6-24-7-21-11-14(19)22-16(20)23-15(11)24/h5,7H,3-4,6H2,1-2H3,(H2,20,22,23)