ethyl 2,5-dimethyl-4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate CAS Name: 2,5-dimethyl-4-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC=NC3=C2C=NN3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)CSC2=NC=NC3=C2C=NN3C)C)C

InChI

InChI=1S/C17H19N5O3S/c1-5-25-17(24)14-10(3)21-9(2)13(14)12(23)7-26-16-11-6-20-22(4)15(11)18-8-19-16/h6,8,21H,5,7H2,1-4H3