ethyl 4-[1-(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyrimidin-4-yl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[1-(4-chlorophenyl)-5-cyano-6-oxidanylidene-pyrimidin-4-yl]piperazine-1-carboxylate Openeye Name: ethyl 4-[1-(4-chlorophenyl)-5-cyano-6-oxo-pyrimidin-4-yl]piperazine-1-carboxylate CAS Name: 4-[1-(4-chlorophenyl)-5-cyano-6-oxo-4-pyrimidinyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[1-(4-chlorophenyl)-5-cyano-6-oxopyrimidin-4-yl]piperazine-1-carboxylate Traditional Name: 4-[1-(4-chlorophenyl)-5-cyano-6-keto-pyrimidin-4-yl]piperazine-1-carboxylic acid ethyl ester Formula: C18H18ClN5O3 MolecularWeight: 387.82022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(C=N2)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C(=O)N(C=N2)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C18H18ClN5O3/c1-2-27-18(26)23-9-7-22(8-10-23)16-15(11-20)17(25)24(12-21-16)14-5-3-13(19)4-6-14/h3-6,12H,2,7-10H2,1H3