ethyl 4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C15H20N6O3S MolecularWeight: 364.4227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C15H20N6O3S/c1-3-24-15(23)21-6-4-20(5-7-21)12(22)9-25-14-11-8-18-19(2)13(11)16-10-17-14/h8,10H,3-7,9H2,1-2H3