ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylate Openeye Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylate CAS Name: 2-(3,5-dimethyl-1-pyrazolyl)-4-(phenethylamino)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylate Traditional Name: 2-(3,5-dimethylpyrazol-1-yl)-4-(phenethylamino)pyrimidine-5-carboxylic acid ethyl ester Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCCC2=CC=CC=C2)N3C(=CC(=N3)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCCC2=CC=CC=C2)N3C(=CC(=N3)C)C

InChI

InChI=1S/C20H23N5O2/c1-4-27-19(26)17-13-22-20(25-15(3)12-14(2)24-25)23-18(17)21-11-10-16-8-6-5-7-9-16/h5-9,12-13H,4,10-11H2,1-3H3,(H,21,22,23)