N6-cyclooctyl-N2-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

Systemtic Name: N6-cyclooctyl-N2-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine Openeye Name: N6-cyclooctyl-N2-(4-morpholinophenyl)-7H-purine-2,6-diamine CAS Name: N6-cyclooctyl-N2-[4-(4-morpholinyl)phenyl]-7H-purine-2,6-diamine IUPAC Name: 6-N-cyclooctyl-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine Traditional Name: cyclooctyl-[2-(4-morpholinoanilino)-7H-purin-6-yl]amine Formula: C23H31N7O MolecularWeight: 421.53854

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

C1CCCC(CCC1)NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C23H31N7O/c1-2-4-6-17(7-5-3-1)26-22-20-21(25-16-24-20)28-23(29-22)27-18-8-10-19(11-9-18)30-12-14-31-15-13-30/h8-11,16-17H,1-7,12-15H2,(H3,24,25,26,27,28,29)