7-(2,2-dimethylpropyl)-1,3-dimethyl-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate

Systemtic Name: 7-(2,2-dimethylpropyl)-1,3-dimethyl-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-(2,2-dimethylpropyl)-1,3-dimethyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 7-(2,2-dimethylpropyl)-1,3-dimethyl-2-oxo-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 7-(2,2-dimethylpropyl)-1,3-dimethyl-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 2-keto-1,3-dimethyl-7-neopentyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C13H17N4O2S- MolecularWeight: 293.36468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-13(2,3)6-7-14-9-8(10(20)15-7)11(18)17(5)12(19)16(9)4/h18H,6H2,1-5H3/p-1