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

Systemtic Name: 1-cyclopropyl-7-(2,2-dimethylpropyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1-cyclopropyl-7-(2,2-dimethylpropyl)-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 1-cyclopropyl-7-(2,2-dimethylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 1-cyclopropyl-7-(2,2-dimethylpropyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1-cyclopropyl-4-keto-7-neopentyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C14H17N4O2S- MolecularWeight: 305.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])C3CC3

Isomeric SMILES

CC(C)(C)CC1=NC(=S)C2=C(N1)N(C(=NC2=O)[O-])C3CC3

InChI

InChI=1S/C14H18N4O2S/c1-14(2,3)6-8-15-10-9(12(21)16-8)11(19)17-13(20)18(10)7-4-5-7/h7H,4-6H2,1-3H3,(H,15,16,21)(H,17,19,20)/p-1