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

Systemtic Name: 2-[(4-chloranyl-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindole-1,3-dione Openeye Name: 2-[(4-chloro-7-methyl-2-methylsulfanyl-pyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindoline-1,3-dione CAS Name: 2-[[4-chloro-7-methyl-2-(methylthio)-5-pyrrolo[2,3-d]pyrimidinyl]methoxy]isoindole-1,3-dione IUPAC Name: 2-[(4-chloro-7-methyl-2-methylsulfanylpyrrolo[2,3-d]pyrimidin-5-yl)methoxy]isoindole-1,3-dione Traditional Name: 2-[[4-chloro-7-methyl-2-(methylthio)pyrrolo[2,3-d]pyrimidin-5-yl]methoxy]isoindoline-1,3-quinone Formula: C17H13ClN4O3S MolecularWeight: 388.82812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13ClN4O3S/c1-21-7-9(12-13(18)19-17(26-2)20-14(12)21)8-25-22-15(23)10-5-3-4-6-11(10)16(22)24/h3-7H,8H2,1-2H3