N-(2-azanylethyl)-2-[2-(diethylamino)-6-methyl-9-(3-morpholin-4-ylpropyl)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-azanylethyl)-2-[2-(diethylamino)-6-methyl-9-(3-morpholin-4-ylpropyl)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2-aminoethyl)-2-[2-(diethylamino)-6-methyl-9-(3-morpholinopropyl)purin-8-yl]sulfanyl-acetamide CAS Name: N-(2-aminoethyl)-2-[[2-(diethylamino)-6-methyl-9-[3-(4-morpholinyl)propyl]-8-purinyl]thio]acetamide IUPAC Name: N-(2-aminoethyl)-2-[2-(diethylamino)-6-methyl-9-(3-morpholin-4-ylpropyl)purin-8-yl]sulfanylacetamide Traditional Name: N-(2-aminoethyl)-2-[[2-(diethylamino)-6-methyl-9-(3-morpholinopropyl)purin-8-yl]thio]acetamide Formula: C21H36N8O2S MolecularWeight: 464.62794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=NC(=C2C(=N1)N(C(=N2)SCC(=O)NCCN)CCCN3CCOCC3)C

Isomeric SMILES

CCN(CC)C1=NC(=C2C(=N1)N(C(=N2)SCC(=O)NCCN)CCCN3CCOCC3)C

InChI

InChI=1S/C21H36N8O2S/c1-4-28(5-2)20-24-16(3)18-19(26-20)29(10-6-9-27-11-13-31-14-12-27)21(25-18)32-15-17(30)23-8-7-22/h4-15,22H2,1-3H3,(H,23,30)