5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,7-dicyclopropyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate

Systemtic Name: 5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,7-dicyclopropyl-4-oxidanylidene-pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,7-dicyclopropyl-4-oxo-pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 5-[[4-(2-cyanophenyl)phenyl]methylthio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 5-[[4-(2-cyanophenyl)phenyl]methylsulfanyl]-1,7-dicyclopropyl-4-oxopyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 5-[[4-(2-cyanophenyl)benzyl]thio]-1,7-dicyclopropyl-4-keto-pyrimido[4,5-d]pyrimidin-2-olate Formula: C26H20N5O2S- MolecularWeight: 466.5343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=N2)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)N=C(N3C6CC6)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=N2)SCC4=CC=C(C=C4)C5=CC=CC=C5C#N)C(=O)N=C(N3C6CC6)[O-]

InChI

InChI=1S/C26H21N5O2S/c27-13-18-3-1-2-4-20(18)16-7-5-15(6-8-16)14-34-25-21-23(28-22(29-25)17-9-10-17)31(19-11-12-19)26(33)30-24(21)32/h1-8,17,19H,9-12,14H2,(H,30,32,33)/p-1