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

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

CC(C)(C)CC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])C

Isomeric SMILES

CC(C)(C)CC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])C

InChI

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