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

Systemtic Name: 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propylsulfanyl]-6-ethyl-4-oxidanylidene-1H-pyrimidine-5-carbonitrile Openeye Name: 2-[3-(1,3-dioxoisoindolin-2-yl)propylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)propylthio]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile IUPAC Name: 2-[3-(1,3-dioxoisoindol-2-yl)propylsulfanyl]-6-ethyl-4-oxo-1H-pyrimidine-5-carbonitrile Traditional Name: 6-ethyl-4-keto-2-(3-phthalimidopropylthio)-1H-pyrimidine-5-carbonitrile Formula: C18H16N4O3S MolecularWeight: 368.40964

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N=C(N1)SCCCN2C(=O)C3=CC=CC=C3C2=O)C#N

Isomeric SMILES

CCC1=C(C(=O)N=C(N1)SCCCN2C(=O)C3=CC=CC=C3C2=O)C#N

InChI

InChI=1S/C18H16N4O3S/c1-2-14-13(10-19)15(23)21-18(20-14)26-9-5-8-22-16(24)11-6-3-4-7-12(11)17(22)25/h3-4,6-7H,2,5,8-9H2,1H3,(H,20,21,23)