2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]ethoxymethanedithioic acid

Systemtic Name: 2-[[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]amino]ethoxymethanedithioic acid Openeye Name: 2-[(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)amino]ethoxymethanedithioic acid CAS Name: 2-[(1,3,7-trimethyl-2,6-dioxo-8-purinyl)amino]ethoxymethanedithioic acid IUPAC Name: 2-[(1,3,7-trimethyl-2,6-dioxopurin-8-yl)amino]ethoxymethanedithioic acid Traditional Name: 2-[(2,6-diketo-1,3,7-trimethyl-purin-8-yl)amino]ethoxymethanedithioic acid Formula: C11H15N5O3S2 MolecularWeight: 329.3985

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCOC(=S)S)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CN1C2=C(N=C1NCCOC(=S)S)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C11H15N5O3S2/c1-14-6-7(15(2)10(18)16(3)8(6)17)13-9(14)12-4-5-19-11(20)21/h4-5H2,1-3H3,(H,12,13)(H,20,21)