ethyl 2-[[4-(4-iodanylpyrazol-1-yl)pyrimidin-2-yl]-methyl-amino]ethanoate

Systemtic Name: ethyl 2-[[4-(4-iodanylpyrazol-1-yl)pyrimidin-2-yl]-methyl-amino]ethanoate Openeye Name: ethyl 2-[[4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]-methyl-amino]acetate CAS Name: 2-[[4-(4-iodo-1-pyrazolyl)-2-pyrimidinyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetate Traditional Name: 2-[[4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]-methyl-amino]acetic acid ethyl ester Formula: C12H14IN5O2 MolecularWeight: 387.17633

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C1=NC=CC(=N1)N2C=C(C=N2)I

Isomeric SMILES

CCOC(=O)CN(C)C1=NC=CC(=N1)N2C=C(C=N2)I

InChI

InChI=1S/C12H14IN5O2/c1-3-20-11(19)8-17(2)12-14-5-4-10(16-12)18-7-9(13)6-15-18/h4-7H,3,8H2,1-2H3