ethyl 5-azanyl-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-(2,5-dimethylphenoxy)-4-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=C(C=CC(=C3)C)C)N

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=NC=N2)OC3=C(C=CC(=C3)C)C)N

InChI

InChI=1S/C18H19N5O3/c1-4-25-18(24)13-9-22-23(17(13)19)15-8-16(21-10-20-15)26-14-7-11(2)5-6-12(14)3/h5-10H,4,19H2,1-3H3