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

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanyl]-6-ethyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[4-(1,3-dioxo-2-isoindolyl)butylthio]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-(4-phthalimidobutylthio)-1H-pyrimidine-5-carbonitrile Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCCCN2C(=O)C3=CC=CC=C3C2=O)C#N

InChI

InChI=1S/C19H18N4O3S/c1-2-15-14(11-20)16(24)22-19(21-15)27-10-6-5-9-23-17(25)12-7-3-4-8-13(12)18(23)26/h3-4,7-8H,2,5-6,9-10H2,1H3,(H,21,22,24)