7-tert-butyl-1-ethyl-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 7-tert-butyl-1-ethyl-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-tert-butyl-1-ethyl-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-tert-butyl-1-ethyl-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-tert-butyl-1-ethyl-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-tert-butyl-1-ethyl-4-keto-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C12H15N4O2S- MolecularWeight: 279.3381

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C(C)(C)C

Isomeric SMILES

CCN1C2=C(C(=O)N=C1[O-])C(=S)N=C(N2)C(C)(C)C

InChI

InChI=1S/C12H16N4O2S/c1-5-16-7-6(8(17)14-11(16)18)9(19)15-10(13-7)12(2,3)4/h5H2,1-4H3,(H,13,15,19)(H,14,17,18)/p-1