ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-6-oxo-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-2-(2-phthalimidoethylthio)-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15N3O5S MolecularWeight: 373.3831

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(NC1=O)SCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=CN=C(NC1=O)SCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H15N3O5S/c1-2-25-16(24)12-9-18-17(19-13(12)21)26-8-7-20-14(22)10-5-3-4-6-11(10)15(20)23/h3-6,9H,2,7-8H2,1H3,(H,18,19,21)