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

Systemtic Name: 7-tert-butyl-1-(2-methoxyethyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-tert-butyl-1-(2-methoxyethyl)-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-tert-butyl-1-(2-methoxyethyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-tert-butyl-1-(2-methoxyethyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-tert-butyl-4-keto-1-(2-methoxyethyl)-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H17N4O3S- MolecularWeight: 309.36408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])CCOC

Isomeric SMILES

CC(C)(C)C1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])CCOC

InChI

InChI=1S/C13H18N4O3S/c1-13(2,3)11-14-8-7(10(21)16-11)9(18)15-12(19)17(8)5-6-20-4/h5-6H2,1-4H3,(H,14,16,21)(H,15,18,19)/p-1