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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)C(C)SC2=NC=NC3=C2C=NN3C

InChI

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