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

Systemtic Name: 7-(4-chlorophenyl)-1,3-dimethyl-2-oxidanylidene-5-sulfanylidene-pyrimido[4,5-d]pyrimidin-4-olate Openeye Name: 7-(4-chlorophenyl)-1,3-dimethyl-2-oxo-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate CAS Name: 7-(4-chlorophenyl)-1,3-dimethyl-2-oxo-5-sulfanylidene-4-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 7-(4-chlorophenyl)-1,3-dimethyl-2-oxo-5-sulfanylidenepyrimido[4,5-d]pyrimidin-4-olate Traditional Name: 7-(4-chlorophenyl)-2-keto-1,3-dimethyl-5-thioxo-pyrimido[4,5-d]pyrimidin-4-olate Formula: C14H10ClN4O2S- MolecularWeight: 333.7728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H11ClN4O2S/c1-18-11-9(13(20)19(2)14(18)21)12(22)17-10(16-11)7-3-5-8(15)6-4-7/h3-6,20H,1-2H3/p-1