ethyl (E)-3-[1-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-5-ethyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-5-ethyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(2-amino-6-chloro-pyrimidin-4-yl)-5-ethyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-amino-6-chloro-4-pyrimidinyl)-5-ethyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(2-amino-6-chloropyrimidin-4-yl)-5-ethylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-amino-6-chloro-pyrimidin-4-yl)-5-ethyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C14H16ClN5O2 MolecularWeight: 321.76214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=NN1C2=CC(=NC(=N2)N)Cl)C=CC(=O)OCC

Isomeric SMILES

CCC1=C(C=NN1C2=CC(=NC(=N2)N)Cl)/C=C/C(=O)OCC

InChI

InChI=1S/C14H16ClN5O2/c1-3-10-9(5-6-13(21)22-4-2)8-17-20(10)12-7-11(15)18-14(16)19-12/h5-8H,3-4H2,1-2H3,(H2,16,18,19)/b6-5+