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

Systemtic Name: 9-[[2-bromanyl-4-(cyclopropylmethoxy)-3,5-dimethoxy-phenyl]methyl]-6-chloranyl-purin-2-amine Openeye Name: 9-[[2-bromo-4-(cyclopropylmethoxy)-3,5-dimethoxy-phenyl]methyl]-6-chloro-purin-2-amine CAS Name: 9-[[2-bromo-4-(cyclopropylmethoxy)-3,5-dimethoxyphenyl]methyl]-6-chloro-2-purinamine IUPAC Name: 9-[[2-bromo-4-(cyclopropylmethoxy)-3,5-dimethoxyphenyl]methyl]-6-chloropurin-2-amine Traditional Name: [9-[2-bromo-4-(cyclopropylmethoxy)-3,5-dimethoxy-benzyl]-6-chloro-purin-2-yl]amine Formula: C18H19BrClN5O3 MolecularWeight: 468.73216

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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)OCC4CC4

Isomeric SMILES

COC1=C(C(=C(C(=C1)CN2C=NC3=C2N=C(N=C3Cl)N)Br)OC)OCC4CC4

InChI

InChI=1S/C18H19BrClN5O3/c1-26-11-5-10(12(19)15(27-2)14(11)28-7-9-3-4-9)6-25-8-22-13-16(20)23-18(21)24-17(13)25/h5,8-9H,3-4,6-7H2,1-2H3,(H2,21,23,24)