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

Systemtic Name: N-(3-azanylpropyl)-2-[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methyl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(3-aminopropyl)-2-[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methyl-purin-8-yl]sulfanyl-acetamide CAS Name: N-(3-aminopropyl)-2-[[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methyl-8-purinyl]thio]acetamide IUPAC Name: N-(3-aminopropyl)-2-[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methylpurin-8-yl]sulfanylacetamide Traditional Name: N-(3-aminopropyl)-2-[[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methyl-purin-8-yl]thio]acetamide Formula: C21H38N8OS MolecularWeight: 450.64442

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C2=NC(=NC(=C2N=C1SCC(=O)NCCCN)C)N(CC)CC

Isomeric SMILES

CCN(CC)CCN1C2=NC(=NC(=C2N=C1SCC(=O)NCCCN)C)N(CC)CC

InChI

InChI=1S/C21H38N8OS/c1-6-27(7-2)13-14-29-19-18(16(5)24-20(26-19)28(8-3)9-4)25-21(29)31-15-17(30)23-12-10-11-22/h6-15,22H2,1-5H3,(H,23,30)