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

Systemtic Name: N-(3-azanylpropyl)-2-[2-(diethylamino)-6-methyl-9-(3-morpholin-4-ylpropyl)purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(3-aminopropyl)-2-[2-(diethylamino)-6-methyl-9-(3-morpholinopropyl)purin-8-yl]sulfanyl-acetamide CAS Name: N-(3-aminopropyl)-2-[[2-(diethylamino)-6-methyl-9-[3-(4-morpholinyl)propyl]-8-purinyl]thio]acetamide IUPAC Name: N-(3-aminopropyl)-2-[2-(diethylamino)-6-methyl-9-(3-morpholin-4-ylpropyl)purin-8-yl]sulfanylacetamide Traditional Name: N-(3-aminopropyl)-2-[[2-(diethylamino)-6-methyl-9-(3-morpholinopropyl)purin-8-yl]thio]acetamide Formula: C22H38N8O2S MolecularWeight: 478.65452

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H38N8O2S/c1-4-29(5-2)21-25-17(3)19-20(27-21)30(11-7-10-28-12-14-32-15-13-28)22(26-19)33-16-18(31)24-9-6-8-23/h4-16,23H2,1-3H3,(H,24,31)