ethyl 4-(6-chloranylpyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(6-chloranylpyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(6-chloropyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(6-chloro-4-pyrimidinyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-chloropyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(6-chloropyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C13H14ClN3O2 MolecularWeight: 279.72216

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=CC(=NC=N2)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=CC(=NC=N2)Cl)C

InChI

InChI=1S/C13H14ClN3O2/c1-4-19-13(18)12-7(2)11(8(3)17-12)9-5-10(14)16-6-15-9/h5-6,17H,4H2,1-3H3