N2-methyl-N6-(4-morpholin-4-ylphenyl)-N2-(pyridin-2-ylmethyl)-9-thiophen-3-yl-purine-2,6-diamine

Systemtic Name: N2-methyl-N6-(4-morpholin-4-ylphenyl)-N2-(pyridin-2-ylmethyl)-9-thiophen-3-yl-purine-2,6-diamine Openeye Name: N2-methyl-N6-(4-morpholinophenyl)-N2-(2-pyridylmethyl)-9-(3-thienyl)purine-2,6-diamine CAS Name: N2-methyl-N6-[4-(4-morpholinyl)phenyl]-N2-(2-pyridinylmethyl)-9-(3-thiophenyl)purine-2,6-diamine IUPAC Name: 2-N-methyl-6-N-(4-morpholin-4-ylphenyl)-2-N-(pyridin-2-ylmethyl)-9-thiophen-3-ylpurine-2,6-diamine Traditional Name: methyl-[6-(4-morpholinoanilino)-9-(3-thienyl)purin-2-yl]-(2-pyridylmethyl)amine Formula: C26H26N8OS MolecularWeight: 498.60264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=N1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)N5CCOCC5)N=CN3C6=CSC=C6

Isomeric SMILES

CN(CC1=CC=CC=N1)C2=NC3=C(C(=N2)NC4=CC=C(C=C4)N5CCOCC5)N=CN3C6=CSC=C6

InChI

InChI=1S/C26H26N8OS/c1-32(16-20-4-2-3-10-27-20)26-30-24(23-25(31-26)34(18-28-23)22-9-15-36-17-22)29-19-5-7-21(8-6-19)33-11-13-35-14-12-33/h2-10,15,17-18H,11-14,16H2,1H3,(H,29,30,31)