4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzamide

Systemtic Name: 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzamide Openeye Name: 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzamide CAS Name: 4-[[2-(cyclohexylamino)-9-ethyl-6-purinyl]amino]benzamide IUPAC Name: 4-[[2-(cyclohexylamino)-9-ethylpurin-6-yl]amino]benzamide Traditional Name: 4-[[2-(cyclohexylamino)-9-ethyl-purin-6-yl]amino]benzamide Formula: C20H25N7O MolecularWeight: 379.4588

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(=O)N)NC4CCCCC4

Isomeric SMILES

CCN1C=NC2=C1N=C(N=C2NC3=CC=C(C=C3)C(=O)N)NC4CCCCC4

InChI

InChI=1S/C20H25N7O/c1-2-27-12-22-16-18(23-15-10-8-13(9-11-15)17(21)28)25-20(26-19(16)27)24-14-6-4-3-5-7-14/h8-12,14H,2-7H2,1H3,(H2,21,28)(H2,23,24,25,26)