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

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-6-(3-methoxyphenyl)-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-6-(3-methoxyphenyl)-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 4-keto-6-(3-methoxyphenyl)-2-(phthalimidomethylthio)-1H-pyrimidine-5-carbonitrile Formula: C21H14N4O4S MolecularWeight: 418.42526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCN3C(=O)C4=CC=CC=C4C3=O)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=O)N=C(N2)SCN3C(=O)C4=CC=CC=C4C3=O)C#N

InChI

InChI=1S/C21H14N4O4S/c1-29-13-6-4-5-12(9-13)17-16(10-22)18(26)24-21(23-17)30-11-25-19(27)14-7-2-3-8-15(14)20(25)28/h2-9H,11H2,1H3,(H,23,24,26)