7-tert-butyl-1,3-dimethyl-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 7-tert-butyl-1,3-dimethyl-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-tert-butyl-1,3-dimethyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 7-tert-butyl-1,3-dimethyl-2-oxo-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 7-tert-butyl-1,3-dimethyl-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 7-tert-butyl-2-keto-1,3-dimethyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C12H15N4O2S- MolecularWeight: 279.3381

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)C2=C(N(C(=O)N(C2=N1)C)C)[O-]

Isomeric SMILES

CC(C)(C)C1=NC(=S)C2=C(N(C(=O)N(C2=N1)C)C)[O-]

InChI

InChI=1S/C12H16N4O2S/c1-12(2,3)10-13-7-6(8(19)14-10)9(17)16(5)11(18)15(7)4/h17H,1-5H3/p-1