7-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 7-[(3-chlorophenyl)methylsulfanyl]-4-oxidanylidene-3-phenyl-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 7-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-phenyl-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 7-[(3-chlorophenyl)methylthio]-4-oxo-3-phenyl-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 7-[(3-chlorophenyl)methylsulfanyl]-4-oxo-3-phenylpyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 7-[(3-chlorobenzyl)thio]-4-keto-3-phenyl-pyrimido[4,5-d]pyrimidin-2-olate Formula: C19H12ClN4O2S- MolecularWeight: 395.84218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3N=C2[O-])SCC4=CC(=CC=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=CN=C(N=C3N=C2[O-])SCC4=CC(=CC=C4)Cl

InChI

InChI=1S/C19H13ClN4O2S/c20-13-6-4-5-12(9-13)11-27-18-21-10-15-16(22-18)23-19(26)24(17(15)25)14-7-2-1-3-8-14/h1-10H,11H2,(H,21,22,23,26)/p-1