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

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-8-yl]sulfanyl-N,N-diethyl-ethanamide Openeye Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxo-purin-8-yl)sulfanyl-N,N-diethyl-acetamide CAS Name: 2-[[1,3-dimethyl-2,6-dioxo-7-(phenylmethyl)-8-purinyl]thio]-N,N-diethylacetamide IUPAC Name: 2-(7-benzyl-1,3-dimethyl-2,6-dioxopurin-8-yl)sulfanyl-N,N-diethylacetamide Traditional Name: 2-[(7-benzyl-2,6-diketo-1,3-dimethyl-purin-8-yl)thio]-N,N-diethyl-acetamide Formula: C20H25N5O3S MolecularWeight: 415.5092

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C(=O)CSC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H25N5O3S/c1-5-24(6-2)15(26)13-29-19-21-17-16(18(27)23(4)20(28)22(17)3)25(19)12-14-10-8-7-9-11-14/h7-11H,5-6,12-13H2,1-4H3