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

Systemtic Name: 1,3-dimethyl-2-oxidanylidene-7-phenyl-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 1,3-dimethyl-2-oxo-7-phenyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 1,3-dimethyl-2-oxo-7-phenyl-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,3-dimethyl-2-oxo-7-phenyl-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 2-keto-1,3-dimethyl-7-phenyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C14H11N4O2S- MolecularWeight: 299.32774

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C(=NC(=NC2=S)C3=CC=CC=C3)N(C1=O)C)[O-]

Isomeric SMILES

CN1C(=C2C(=NC(=NC2=S)C3=CC=CC=C3)N(C1=O)C)[O-]

InChI

InChI=1S/C14H12N4O2S/c1-17-11-9(13(19)18(2)14(17)20)12(21)16-10(15-11)8-6-4-3-5-7-8/h3-7,19H,1-2H3/p-1