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

Systemtic Name: [1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl] N,N-diethylcarbamodithioate Openeye Name: (1,3,7-trimethyl-2,6-dioxo-purin-8-yl) N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (1,3,7-trimethyl-2,6-dioxo-8-purinyl) ester IUPAC Name: (1,3,7-trimethyl-2,6-dioxopurin-8-yl) N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (2,6-diketo-1,3,7-trimethyl-purin-8-yl) ester Formula: C13H19N5O2S2 MolecularWeight: 341.45226

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCN(CC)C(=S)SC1=NC2=C(N1C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C13H19N5O2S2/c1-6-18(7-2)13(21)22-11-14-9-8(15(11)3)10(19)17(5)12(20)16(9)4/h6-7H2,1-5H3