7-(2,2-dimethylpropyl)-1-ethyl-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 7-(2,2-dimethylpropyl)-1-ethyl-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-(2,2-dimethylpropyl)-1-ethyl-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-(2,2-dimethylpropyl)-1-ethyl-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-(2,2-dimethylpropyl)-1-ethyl-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-ethyl-4-keto-7-neopentyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H17N4O2S- MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-5-17-9-8(10(18)16-12(17)19)11(20)15-7(14-9)6-13(2,3)4/h5-6H2,1-4H3,(H,14,15,20)(H,16,18,19)/p-1