2-methylsulfanyl-7-phenyl-pyrimido[4,5-d]pyrimidin-5-olate

Systemtic Name: 2-methylsulfanyl-7-phenyl-pyrimido[4,5-d]pyrimidin-5-olate Openeye Name: 2-methylsulfanyl-7-phenyl-pyrimido[4,5-d]pyrimidin-5-olate CAS Name: 2-(methylthio)-7-phenyl-5-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 2-methylsulfanyl-7-phenylpyrimido[4,5-d]pyrimidin-5-olate Traditional Name: 2-(methylthio)-7-phenyl-pyrimido[4,5-d]pyrimidin-5-olate Formula: C13H9N4OS- MolecularWeight: 269.30176

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C2C(=N1)N=C(N=C2[O-])C3=CC=CC=C3

Isomeric SMILES

CSC1=NC=C2C(=N1)N=C(N=C2[O-])C3=CC=CC=C3

InChI

InChI=1S/C13H10N4OS/c1-19-13-14-7-9-11(17-13)15-10(16-12(9)18)8-5-3-2-4-6-8/h2-7H,1H3,(H,14,15,16,17,18)/p-1