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

Systemtic Name: 7-tert-butyl-1-cyclopropyl-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-tert-butyl-1-cyclopropyl-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-tert-butyl-1-cyclopropyl-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-tert-butyl-1-cyclopropyl-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-tert-butyl-1-cyclopropyl-4-keto-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C13H15N4O2S- MolecularWeight: 291.3488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])C3CC3

Isomeric SMILES

CC(C)(C)C1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])C3CC3

InChI

InChI=1S/C13H16N4O2S/c1-13(2,3)11-14-8-7(10(20)16-11)9(18)15-12(19)17(8)6-4-5-6/h6H,4-5H2,1-3H3,(H,14,16,20)(H,15,18,19)/p-1