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

Systemtic Name: ethyl (E)-3-[1-[2-azanyl-5-methoxy-6-(3-oxidanylazetidin-1-yl)pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-[2-amino-6-(3-hydroxyazetidin-1-yl)-5-methoxy-pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[1-[2-amino-6-(3-hydroxy-1-azetidinyl)-5-methoxy-4-pyrimidinyl]-5-methyl-4-pyrazolyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-[2-amino-6-(3-hydroxyazetidin-1-yl)-5-methoxypyrimidin-4-yl]-5-methylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[1-[2-amino-6-(3-hydroxyazetidin-1-yl)-5-methoxy-pyrimidin-4-yl]-5-methyl-pyrazol-4-yl]acrylic acid ethyl ester Formula: C17H22N6O4 MolecularWeight: 374.39438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(N(N=C1)C2=C(C(=NC(=N2)N)N3CC(C3)O)OC)C

Isomeric SMILES

CCOC(=O)/C=C/C1=C(N(N=C1)C2=C(C(=NC(=N2)N)N3CC(C3)O)OC)C

InChI

InChI=1S/C17H22N6O4/c1-4-27-13(25)6-5-11-7-19-23(10(11)2)16-14(26-3)15(20-17(18)21-16)22-8-12(24)9-22/h5-7,12,24H,4,8-9H2,1-3H3,(H2,18,20,21)/b6-5+