N,N-diethyl-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide

Systemtic Name: N,N-diethyl-2-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]sulfanyl-ethanamide Openeye Name: N,N-diethyl-2-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)sulfanyl-acetamide CAS Name: N,N-diethyl-2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)thio]acetamide IUPAC Name: N,N-diethyl-2-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)thio]-N,N-diethyl-acetamide Formula: C14H21N5O3S MolecularWeight: 339.41324

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H21N5O3S/c1-6-19(7-2)9(20)8-23-13-15-11-10(16(13)3)12(21)18(5)14(22)17(11)4/h6-8H2,1-5H3