ethyl 5-chloranyl-2-[cyano-(1-methylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxylate

Systemtic Name: ethyl 5-chloranyl-2-[cyano-(1-methylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxylate Openeye Name: ethyl 5-chloro-2-[cyano-(1-methylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxylate CAS Name: 5-chloro-2-[cyano-(1-methyl-2-benzimidazolyl)methyl]-4-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-chloro-2-[cyano-(1-methylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxylate Traditional Name: 5-chloro-2-[cyano-(1-methylbenzimidazol-2-yl)methyl]pyrimidine-4-carboxylic acid ethyl ester Formula: C17H14ClN5O2 MolecularWeight: 355.77836

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NC(=NC=C1Cl)C(C#N)C2=NC3=CC=CC=C3N2C

Isomeric SMILES

CCOC(=O)C1=NC(=NC=C1Cl)C(C#N)C2=NC3=CC=CC=C3N2C

InChI

InChI=1S/C17H14ClN5O2/c1-3-25-17(24)14-11(18)9-20-15(22-14)10(8-19)16-21-12-6-4-5-7-13(12)23(16)2/h4-7,9-10H,3H2,1-2H3