ethyl 4-azanyl-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(phthalimidomethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H14N4O4S MolecularWeight: 358.37176

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H14N4O4S/c1-2-24-15(23)11-7-18-16(19-12(11)17)25-8-20-13(21)9-5-3-4-6-10(9)14(20)22/h3-7H,2,8H2,1H3,(H2,17,18,19)