N-[5-[1-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridin-3-yl]methanesulfonamide

Systemtic Name: N-[5-[1-(4-azanyl-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridin-3-yl]methanesulfonamide Openeye Name: N-[5-[1-(4-amino-6-methylsulfanyl-pyrimidin-2-yl)sulfanylethyl]-1-methyl-pyrrolo[2,3-c]pyridin-3-yl]methanesulfonamide CAS Name: N-[5-[1-[[4-amino-6-(methylthio)-2-pyrimidinyl]thio]ethyl]-1-methyl-3-pyrrolo[2,3-c]pyridinyl]methanesulfonamide IUPAC Name: N-[5-[1-(4-amino-6-methylsulfanylpyrimidin-2-yl)sulfanylethyl]-1-methylpyrrolo[2,3-c]pyridin-3-yl]methanesulfonamide Traditional Name: N-[5-[1-[[4-amino-6-(methylthio)pyrimidin-2-yl]thio]ethyl]-1-methyl-pyrrolo[2,3-c]pyridin-3-yl]methanesulfonamide Formula: C16H20N6O2S3 MolecularWeight: 424.564

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C(=CN2C)NS(=O)(=O)C)SC3=NC(=CC(=N3)SC)N

Isomeric SMILES

CC(C1=NC=C2C(=C1)C(=CN2C)NS(=O)(=O)C)SC3=NC(=CC(=N3)SC)N

InChI

InChI=1S/C16H20N6O2S3/c1-9(26-16-19-14(17)6-15(20-16)25-3)11-5-10-12(21-27(4,23)24)8-22(2)13(10)7-18-11/h5-9,21H,1-4H3,(H2,17,19,20)