ethyl 1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H25N5O3S/c1-3-30-22(29)16-9-11-26(12-10-16)21(28)15(2)31-20-18-13-25-27(19(18)23-14-24-20)17-7-5-4-6-8-17/h4-8,13-16H,3,9-12H2,1-2H3