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

Systemtic Name: N-(2-azanylethyl)-2-[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methyl-purin-8-yl]sulfanyl-ethanamide Openeye Name: N-(2-aminoethyl)-2-[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methyl-purin-8-yl]sulfanyl-acetamide CAS Name: N-(2-aminoethyl)-2-[[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methyl-8-purinyl]thio]acetamide IUPAC Name: N-(2-aminoethyl)-2-[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methylpurin-8-yl]sulfanylacetamide Traditional Name: N-(2-aminoethyl)-2-[[2-(diethylamino)-9-(2-diethylaminoethyl)-6-methyl-purin-8-yl]thio]acetamide Formula: C20H36N8OS MolecularWeight: 436.61784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H36N8OS/c1-6-26(7-2)12-13-28-18-17(15(5)23-19(25-18)27(8-3)9-4)24-20(28)30-14-16(29)22-11-10-21/h6-14,21H2,1-5H3,(H,22,29)