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

Systemtic Name: 2-[2-(4-chloranyl-7-methyl-2-methylsulfonyl-pyrrolo[2,3-d]pyrimidin-5-yl)ethoxy]isoindole-1,3-dione Openeye Name: 2-[2-(4-chloro-7-methyl-2-methylsulfonyl-pyrrolo[2,3-d]pyrimidin-5-yl)ethoxy]isoindoline-1,3-dione CAS Name: 2-[2-(4-chloro-7-methyl-2-methylsulfonyl-5-pyrrolo[2,3-d]pyrimidinyl)ethoxy]isoindole-1,3-dione IUPAC Name: 2-[2-(4-chloro-7-methyl-2-methylsulfonylpyrrolo[2,3-d]pyrimidin-5-yl)ethoxy]isoindole-1,3-dione Traditional Name: 2-[2-(4-chloro-2-mesyl-7-methyl-pyrrolo[2,3-d]pyrimidin-5-yl)ethoxy]isoindoline-1,3-quinone Formula: C18H15ClN4O5S MolecularWeight: 434.8535

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C2=C1N=C(N=C2Cl)S(=O)(=O)C)CCON3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CN1C=C(C2=C1N=C(N=C2Cl)S(=O)(=O)C)CCON3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H15ClN4O5S/c1-22-9-10(13-14(19)20-18(21-15(13)22)29(2,26)27)7-8-28-23-16(24)11-5-3-4-6-12(11)17(23)25/h3-6,9H,7-8H2,1-2H3