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

Systemtic Name: ethyl 1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-5-methyl-pyrazole-4-carboxylate CAS Name: 1-[2-[(4-methoxyphenyl)methylamino]-4-pyrimidinyl]-5-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methoxyphenyl)methylamino]pyrimidin-4-yl]-5-methylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-[2-(p-anisylamino)pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H21N5O3 MolecularWeight: 367.40174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3/c1-4-27-18(25)16-12-22-24(13(16)2)17-9-10-20-19(23-17)21-11-14-5-7-15(26-3)8-6-14/h5-10,12H,4,11H2,1-3H3,(H,20,21,23)