ethyl 2-cyano-3-[4-(ethylamino)-2-pyrrolidin-1-yl-pyrimidin-5-yl]-3-oxidanylidene-propanoate

Systemtic Name: ethyl 2-cyano-3-[4-(ethylamino)-2-pyrrolidin-1-yl-pyrimidin-5-yl]-3-oxidanylidene-propanoate Openeye Name: ethyl 2-cyano-3-[4-(ethylamino)-2-pyrrolidin-1-yl-pyrimidin-5-yl]-3-oxo-propanoate CAS Name: 2-cyano-3-[4-(ethylamino)-2-(1-pyrrolidinyl)-5-pyrimidinyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-[4-(ethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-3-oxopropanoate Traditional Name: 2-cyano-3-[4-(ethylamino)-2-pyrrolidino-pyrimidin-5-yl]-3-keto-propionic acid ethyl ester Formula: C16H21N5O3 MolecularWeight: 331.36964

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC=C1C(=O)C(C#N)C(=O)OCC)N2CCCC2

Isomeric SMILES

CCNC1=NC(=NC=C1C(=O)C(C#N)C(=O)OCC)N2CCCC2

InChI

InChI=1S/C16H21N5O3/c1-3-18-14-12(13(22)11(9-17)15(23)24-4-2)10-19-16(20-14)21-7-5-6-8-21/h10-11H,3-8H2,1-2H3,(H,18,19,20)