2-[(4-chloranyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindole-1,3-dione

Systemtic Name: 2-[(4-chloranyl-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindole-1,3-dione Openeye Name: 2-[(4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindoline-1,3-dione CAS Name: 2-[[4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methoxy]isoindole-1,3-dione IUPAC Name: 2-[(4-chloro-2-methylsulfanyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindole-1,3-dione Traditional Name: 2-[[4-chloro-2-(methylthio)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methoxy]isoindoline-1,3-quinone Formula: C16H11ClN4O3S MolecularWeight: 374.80154

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C(=CN2)CON3C(=O)C4=CC=CC=C4C3=O)C(=N1)Cl

Isomeric SMILES

CSC1=NC2=C(C(=CN2)CON3C(=O)C4=CC=CC=C4C3=O)C(=N1)Cl

InChI

InChI=1S/C16H11ClN4O3S/c1-25-16-19-12(17)11-8(6-18-13(11)20-16)7-24-21-14(22)9-4-2-3-5-10(9)15(21)23/h2-6H,7H2,1H3,(H,18,19,20)