2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl N,N-diethylcarbamodithioate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl N,N-diethylcarbamodithioate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C14H21N5O2S2 MolecularWeight: 355.47884

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C(=S)SCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C14H21N5O2S2/c1-5-18(6-2)14(22)23-8-7-19-9-15-11-10(19)12(20)17(4)13(21)16(11)3/h9H,5-8H2,1-4H3