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

Systemtic Name: 3,7-dimethyl-1-(2-methylpropyl)-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 1-isobutyl-3,7-dimethyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 3,7-dimethyl-1-(2-methylpropyl)-2-oxo-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 3,7-dimethyl-1-(2-methylpropyl)-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 1-isobutyl-2-keto-3,7-dimethyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C12H15N4O2S- MolecularWeight: 279.3381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O2S/c1-6(2)5-16-9-8(10(19)14-7(3)13-9)11(17)15(4)12(16)18/h6,17H,5H2,1-4H3/p-1