ethyl 4-(2-chloranyl-5-cyano-pyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-(2-chloranyl-5-cyano-pyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-(2-chloro-5-cyano-pyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-(2-chloro-5-cyano-4-pyrimidinyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-chloro-5-cyanopyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-(2-chloro-5-cyano-pyrimidin-4-yl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C14H13ClN4O2 MolecularWeight: 304.73162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2C#N)Cl)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C2=NC(=NC=C2C#N)Cl)C

InChI

InChI=1S/C14H13ClN4O2/c1-4-21-13(20)11-7(2)10(8(3)18-11)12-9(5-16)6-17-14(15)19-12/h6,18H,4H2,1-3H3