2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-4-oxidanylidene-6-phenyl-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-4-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-phenyl-2-(2-phthalimidoethylthio)-1H-pyrimidine-5-carbonitrile Formula: C21H14N4O3S MolecularWeight: 402.42586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)SCCN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C21H14N4O3S/c22-12-16-17(13-6-2-1-3-7-13)23-21(24-18(16)26)29-11-10-25-19(27)14-8-4-5-9-15(14)20(25)28/h1-9H,10-11H2,(H,23,24,26)