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

Systemtic Name: 2-[(4-chloranyl-7-methyl-2-methylsulfonyl-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindole-1,3-dione Openeye Name: 2-[(4-chloro-7-methyl-2-methylsulfonyl-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindoline-1,3-dione CAS Name: 2-[(4-chloro-7-methyl-2-methylsulfonyl-5-pyrrolo[2,3-d]pyrimidinyl)methoxy]isoindole-1,3-dione IUPAC Name: 2-[(4-chloro-7-methyl-2-methylsulfonylpyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindole-1,3-dione Traditional Name: 2-[(4-chloro-2-mesyl-7-methyl-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindoline-1,3-quinone Formula: C17H13ClN4O5S MolecularWeight: 420.82692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1N=C(N=C2Cl)S(=O)(=O)C)CON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C=C(C2=C1N=C(N=C2Cl)S(=O)(=O)C)CON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C17H13ClN4O5S/c1-21-7-9(12-13(18)19-17(20-14(12)21)28(2,25)26)8-27-22-15(23)10-5-3-4-6-11(10)16(22)24/h3-7H,8H2,1-2H3