ethyl 1-[4-chloranyl-6-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-chloranyl-6-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-propyl-pyrazole-4-carboxylate CAS Name: 1-[4-chloro-6-[(4-methoxyphenyl)methylamino]-2-pyrimidinyl]-5-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidin-2-yl]-5-propylpyrazole-4-carboxylate Traditional Name: 1-[4-chloro-6-(p-anisylamino)pyrimidin-2-yl]-5-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C21H24ClN5O3 MolecularWeight: 429.89996

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=NN1C2=NC(=CC(=N2)Cl)NCC3=CC=C(C=C3)OC)C(=O)OCC

Isomeric SMILES

CCCC1=C(C=NN1C2=NC(=CC(=N2)Cl)NCC3=CC=C(C=C3)OC)C(=O)OCC

InChI

InChI=1S/C21H24ClN5O3/c1-4-6-17-16(20(28)30-5-2)13-24-27(17)21-25-18(22)11-19(26-21)23-12-14-7-9-15(29-3)10-8-14/h7-11,13H,4-6,12H2,1-3H3,(H,23,25,26)