ethyl 4-[[3,5-bis(chloranyl)phenyl]amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[[3,5-bis(chloranyl)phenyl]amino]-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3,5-dichloroanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate CAS Name: 4-(3,5-dichloroanilino)-2-(4-methyl-1-pyrazolyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3,5-dichloroanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylate Traditional Name: 4-(3,5-dichloroanilino)-2-(4-methylpyrazol-1-yl)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H15Cl2N5O2 MolecularWeight: 392.2393

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)Cl)Cl)N3C=C(C=N3)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC(=CC(=C2)Cl)Cl)N3C=C(C=N3)C

InChI

InChI=1S/C17H15Cl2N5O2/c1-3-26-16(25)14-8-20-17(24-9-10(2)7-21-24)23-15(14)22-13-5-11(18)4-12(19)6-13/h4-9H,3H2,1-2H3,(H,20,22,23)