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

Systemtic Name: ethyl (E)-3-[1-(2-azanyl-6-chloranyl-pyrimidin-4-yl)-5-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-(2-amino-6-chloro-pyrimidin-4-yl)-5-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-amino-6-chloro-4-pyrimidinyl)-5-methyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-(2-amino-6-chloropyrimidin-4-yl)-5-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-amino-6-chloro-pyrimidin-4-yl)-5-methyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C13H14ClN5O2 MolecularWeight: 307.73556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N(N=C1)C2=CC(=NC(=N2)N)Cl)C

Isomeric SMILES

CCOC(=O)/C=C/C1=C(N(N=C1)C2=CC(=NC(=N2)N)Cl)C

InChI

InChI=1S/C13H14ClN5O2/c1-3-21-12(20)5-4-9-7-16-19(8(9)2)11-6-10(14)17-13(15)18-11/h4-7H,3H2,1-2H3,(H2,15,17,18)/b5-4+