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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)Cl)NCC3=CC=C(C=C3)OC)C(C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=NC(=CC(=N2)Cl)NCC3=CC=C(C=C3)OC)C(C)C

InChI

InChI=1S/C21H24ClN5O3/c1-5-30-20(28)16-12-24-27(19(16)13(2)3)21-25-17(22)10-18(26-21)23-11-14-6-8-15(29-4)9-7-14/h6-10,12-13H,5,11H2,1-4H3,(H,23,25,26)