N-butyl-9-(2-chloranyl-4,6-dimethoxy-phenyl)-N-ethyl-2,8-dimethyl-purin-6-amine

Systemtic Name: N-butyl-9-(2-chloranyl-4,6-dimethoxy-phenyl)-N-ethyl-2,8-dimethyl-purin-6-amine Openeye Name: N-butyl-9-(2-chloro-4,6-dimethoxy-phenyl)-N-ethyl-2,8-dimethyl-purin-6-amine CAS Name: N-butyl-9-(2-chloro-4,6-dimethoxyphenyl)-N-ethyl-2,8-dimethyl-6-purinamine IUPAC Name: N-butyl-9-(2-chloro-4,6-dimethoxyphenyl)-N-ethyl-2,8-dimethylpurin-6-amine Traditional Name: butyl-[9-(2-chloro-4,6-dimethoxy-phenyl)-2,8-dimethyl-purin-6-yl]-ethyl-amine Formula: C21H28ClN5O2 MolecularWeight: 417.93232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC)C1=NC(=NC2=C1N=C(N2C3=C(C=C(C=C3Cl)OC)OC)C)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1N=C(N2C3=C(C=C(C=C3Cl)OC)OC)C)C

InChI

InChI=1S/C21H28ClN5O2/c1-7-9-10-26(8-2)20-18-21(24-13(3)23-20)27(14(4)25-18)19-16(22)11-15(28-5)12-17(19)29-6/h11-12H,7-10H2,1-6H3