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

Systemtic Name: ethyl 2-[[4-(4-isocyanopyrazol-1-yl)pyrimidin-2-yl]-methyl-amino]ethanoate Openeye Name: ethyl 2-[[4-(4-isocyanopyrazol-1-yl)pyrimidin-2-yl]-methyl-amino]acetate CAS Name: 2-[[4-(4-isocyano-1-pyrazolyl)-2-pyrimidinyl]-methylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-(4-isocyanopyrazol-1-yl)pyrimidin-2-yl]-methylamino]acetate Traditional Name: 2-[[4-(4-isocyanopyrazol-1-yl)pyrimidin-2-yl]-methyl-amino]acetic acid ethyl ester Formula: C13H14N6O2 MolecularWeight: 286.28926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(C)C1=NC=CC(=N1)N2C=C(C=N2)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CN(C)C1=NC=CC(=N1)N2C=C(C=N2)[N+]#[C-]

InChI

InChI=1S/C13H14N6O2/c1-4-21-12(20)9-18(3)13-15-6-5-11(17-13)19-8-10(14-2)7-16-19/h5-8H,4,9H2,1,3H3