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

Systemtic Name: 7-(2,2-dimethylpropyl)-1-(2-methoxyethyl)-4-oxidanylidene-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-(2,2-dimethylpropyl)-1-(2-methoxyethyl)-4-oxo-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-(2,2-dimethylpropyl)-1-(2-methoxyethyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate IUPAC Name: 7-(2,2-dimethylpropyl)-1-(2-methoxyethyl)-4-oxo-5-sulfanylidene-8H-pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-7-neopentyl-5-thioxo-8H-pyrimido[4,5-d]pyrimidin-2-olate Formula: C14H19N4O3S- MolecularWeight: 323.39066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N4O3S/c1-14(2,3)7-8-15-10-9(12(22)16-8)11(19)17-13(20)18(10)5-6-21-4/h5-7H2,1-4H3,(H,15,16,22)(H,17,19,20)/p-1