N6-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N2-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine

Systemtic Name: N6-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-N2-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine Openeye Name: N6-[1-(2,3-dihydrobenzofuran-2-ylmethyl)-4-piperidyl]-N2-(4-morpholinophenyl)-7H-purine-2,6-diamine CAS Name: N6-[1-(2,3-dihydrobenzofuran-2-ylmethyl)-4-piperidinyl]-N2-[4-(4-morpholinyl)phenyl]-7H-purine-2,6-diamine IUPAC Name: 6-N-[1-(2,3-dihydro-1-benzofuran-2-ylmethyl)piperidin-4-yl]-2-N-(4-morpholin-4-ylphenyl)-7H-purine-2,6-diamine Traditional Name: [1-(coumaran-2-ylmethyl)-4-piperidyl]-[2-(4-morpholinoanilino)-7H-purin-6-yl]amine Formula: C29H34N8O2 MolecularWeight: 526.63266

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5)CC6CC7=CC=CC=C7O6

Isomeric SMILES

C1CN(CCC1NC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)N5CCOCC5)CC6CC7=CC=CC=C7O6

InChI

InChI=1S/C29H34N8O2/c1-2-4-25-20(3-1)17-24(39-25)18-36-11-9-22(10-12-36)32-28-26-27(31-19-30-26)34-29(35-28)33-21-5-7-23(8-6-21)37-13-15-38-16-14-37/h1-8,19,22,24H,9-18H2,(H3,30,31,32,33,34,35)