ethyl 1-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-amino-5-cyanopyrimidin-2-yl)sulfanylpropanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]propanoyl]isonipecotic acid ethyl ester Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=C(C(=N2)N)C#N

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NC=C(C(=N2)N)C#N

InChI

InChI=1S/C16H21N5O3S/c1-3-24-15(23)11-4-6-21(7-5-11)14(22)10(2)25-16-19-9-12(8-17)13(18)20-16/h9-11H,3-7H2,1-2H3,(H2,18,19,20)