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

Systemtic Name: 5-azanyl-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carboxamide Openeye Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-3-ethyl-pyrazole-4-carboxamide CAS Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-(methylthio)-4-pyrimidinyl]-3-ethyl-4-pyrazolecarboxamide IUPAC Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-methylsulfanylpyrimidin-4-yl]-3-ethylpyrazole-4-carboxamide Traditional Name: 5-amino-1-[6-(3,4-dimethylphenoxy)-2-(methylthio)pyrimidin-4-yl]-3-ethyl-pyrazole-4-carboxamide Formula: C19H22N6O2S MolecularWeight: 398.48198

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1C(=O)N)N)C2=CC(=NC(=N2)SC)OC3=CC(=C(C=C3)C)C

Isomeric SMILES

CCC1=NN(C(=C1C(=O)N)N)C2=CC(=NC(=N2)SC)OC3=CC(=C(C=C3)C)C

InChI

InChI=1S/C19H22N6O2S/c1-5-13-16(18(21)26)17(20)25(24-13)14-9-15(23-19(22-14)28-4)27-12-7-6-10(2)11(3)8-12/h6-9H,5,20H2,1-4H3,(H2,21,26)