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

Systemtic Name: (E)-3-[1-(2-azanyl-6-phenylmethoxy-pyrimidin-4-yl)-5-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (E)-3-[1-(2-amino-6-benzyloxy-pyrimidin-4-yl)-5-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-(2-amino-6-phenylmethoxy-4-pyrimidinyl)-5-methyl-4-pyrazolyl]-2-propenoate IUPAC Name: (E)-3-[1-(2-amino-6-phenylmethoxypyrimidin-4-yl)-5-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-(2-amino-6-benzoxy-pyrimidin-4-yl)-5-methyl-pyrazol-4-yl]acrylate Formula: C18H16N5O3- MolecularWeight: 350.35134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=NC(=N2)N)OCC3=CC=CC=C3)C=CC(=O)[O-]

Isomeric SMILES

CC1=C(C=NN1C2=CC(=NC(=N2)N)OCC3=CC=CC=C3)/C=C/C(=O)[O-]

InChI

InChI=1S/C18H17N5O3/c1-12-14(7-8-17(24)25)10-20-23(12)15-9-16(22-18(19)21-15)26-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,24,25)(H2,19,21,22)/p-1/b8-7+