4-[(3-chloranyl-4-methyl-phenyl)amino]pyrimidine-5-carboxylate

Systemtic Name: 4-[(3-chloranyl-4-methyl-phenyl)amino]pyrimidine-5-carboxylate Openeye Name: 4-(3-chloro-4-methyl-anilino)pyrimidine-5-carboxylate CAS Name: 4-(3-chloro-4-methylanilino)-5-pyrimidinecarboxylate IUPAC Name: 4-(3-chloro-4-methylanilino)pyrimidine-5-carboxylate Traditional Name: 4-(3-chloro-4-methyl-anilino)pyrimidine-5-carboxylate Formula: C12H9ClN3O2- MolecularWeight: 262.67176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=NC=C2C(=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=NC=C2C(=O)[O-])Cl

InChI

InChI=1S/C12H10ClN3O2/c1-7-2-3-8(4-10(7)13)16-11-9(12(17)18)5-14-6-15-11/h2-6H,1H3,(H,17,18)(H,14,15,16)/p-1