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

Systemtic Name: N-butyl-9-(2-chloranyl-4,6-dimethoxy-phenyl)-N-ethyl-2-methyl-8-phenyl-purin-6-amine Openeye Name: N-butyl-9-(2-chloro-4,6-dimethoxy-phenyl)-N-ethyl-2-methyl-8-phenyl-purin-6-amine CAS Name: N-butyl-9-(2-chloro-4,6-dimethoxyphenyl)-N-ethyl-2-methyl-8-phenyl-6-purinamine IUPAC Name: N-butyl-9-(2-chloro-4,6-dimethoxyphenyl)-N-ethyl-2-methyl-8-phenylpurin-6-amine Traditional Name: butyl-[9-(2-chloro-4,6-dimethoxy-phenyl)-2-methyl-8-phenyl-purin-6-yl]-ethyl-amine Formula: C26H30ClN5O2 MolecularWeight: 480.0017

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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)C4=CC=CC=C4)C

Isomeric SMILES

CCCCN(CC)C1=NC(=NC2=C1N=C(N2C3=C(C=C(C=C3Cl)OC)OC)C4=CC=CC=C4)C

InChI

InChI=1S/C26H30ClN5O2/c1-6-8-14-31(7-2)25-22-26(29-17(3)28-25)32(24(30-22)18-12-10-9-11-13-18)23-20(27)15-19(33-4)16-21(23)34-5/h9-13,15-16H,6-8,14H2,1-5H3