ethyl 5-azanyl-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]pyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-(methylthio)pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3S/c1-5-26-18(25)14-10-21-24(17(14)20)15-9-16(23-19(22-15)28-4)27-13-7-6-11(2)12(3)8-13/h6-10H,5,20H2,1-4H3