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

Systemtic Name: 1,7-dicyclopropyl-4-oxidanylidene-5-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]pyrimido[4,5-d]pyrimidin-2-olate Openeye Name: 1,7-dicyclopropyl-4-oxo-5-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]pyrimido[4,5-d]pyrimidin-2-olate CAS Name: 5-[[4-[anilino(oxo)methyl]phenyl]methylthio]-1,7-dicyclopropyl-4-oxo-2-pyrimido[4,5-d]pyrimidinolate IUPAC Name: 1,7-dicyclopropyl-4-oxo-5-[[4-(phenylcarbamoyl)phenyl]methylsulfanyl]pyrimido[4,5-d]pyrimidin-2-olate Traditional Name: 1,7-dicyclopropyl-4-keto-5-[[4-(phenylcarbamoyl)benzyl]thio]pyrimido[4,5-d]pyrimidin-2-olate Formula: C26H22N5O3S- MolecularWeight: 484.54958

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC3=C(C(=N2)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)C(=O)N=C(N3C6CC6)[O-]

Isomeric SMILES

C1CC1C2=NC3=C(C(=N2)SCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5)C(=O)N=C(N3C6CC6)[O-]

InChI

InChI=1S/C26H23N5O3S/c32-23(27-18-4-2-1-3-5-18)17-8-6-15(7-9-17)14-35-25-20-22(28-21(29-25)16-10-11-16)31(19-12-13-19)26(34)30-24(20)33/h1-9,16,19H,10-14H2,(H,27,32)(H,30,33,34)/p-1