8-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-9-pent-4-ynyl-purin-6-amine

Systemtic Name: 8-[(2-chloranyl-3,4,5-trimethoxy-phenyl)methyl]-9-pent-4-ynyl-purin-6-amine Openeye Name: 8-[(2-chloro-3,4,5-trimethoxy-phenyl)methyl]-9-pent-4-ynyl-purin-6-amine CAS Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-9-pent-4-ynyl-6-purinamine IUPAC Name: 8-[(2-chloro-3,4,5-trimethoxyphenyl)methyl]-9-pent-4-ynylpurin-6-amine Traditional Name: [8-(2-chloro-3,4,5-trimethoxy-benzyl)-9-pent-4-ynyl-purin-6-yl]amine Formula: C20H22ClN5O3 MolecularWeight: 415.87338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)CC2=NC3=C(N2CCCC#C)N=CN=C3N)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)CC2=NC3=C(N2CCCC#C)N=CN=C3N)Cl)OC)OC

InChI

InChI=1S/C20H22ClN5O3/c1-5-6-7-8-26-14(25-16-19(22)23-11-24-20(16)26)10-12-9-13(27-2)17(28-3)18(29-4)15(12)21/h1,9,11H,6-8,10H2,2-4H3,(H2,22,23,24)