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

Systemtic Name: (E)-3-[1-[2-azanyl-6-(3-oxidanylazetidin-1-yl)pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]prop-2-enal Openeye Name: (E)-3-[1-[2-amino-6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]prop-2-enal CAS Name: (E)-3-[1-[2-amino-6-(3-hydroxy-1-azetidinyl)-4-pyrimidinyl]-5-methyl-4-pyrazolyl]-2-propenal IUPAC Name: (E)-3-[1-[2-amino-6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-5-methylpyrazol-4-yl]prop-2-enal Traditional Name: (E)-3-[1-[2-amino-6-(3-hydroxyazetidin-1-yl)pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]acrolein Formula: C14H16N6O2 MolecularWeight: 300.31584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC(=NC(=N2)N)N3CC(C3)O)C=CC=O

Isomeric SMILES

CC1=C(C=NN1C2=CC(=NC(=N2)N)N3CC(C3)O)/C=C/C=O

InChI

InChI=1S/C14H16N6O2/c1-9-10(3-2-4-21)6-16-20(9)13-5-12(17-14(15)18-13)19-7-11(22)8-19/h2-6,11,22H,7-8H2,1H3,(H2,15,17,18)/b3-2+