5-azanyl-3-methyl-1-(2-methylsulfanyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carboxamide

Systemtic Name: 5-azanyl-3-methyl-1-(2-methylsulfanyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carboxamide Openeye Name: 5-amino-3-methyl-1-(2-methylsulfanyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carboxamide CAS Name: 5-amino-3-methyl-1-[2-(methylthio)-6-phenoxy-4-pyrimidinyl]-4-pyrazolecarboxamide IUPAC Name: 5-amino-3-methyl-1-(2-methylsulfanyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carboxamide Traditional Name: 5-amino-3-methyl-1-[2-(methylthio)-6-phenoxy-pyrimidin-4-yl]pyrazole-4-carboxamide Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)N)N)C2=CC(=NC(=N2)SC)OC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1C(=O)N)N)C2=CC(=NC(=N2)SC)OC3=CC=CC=C3

InChI

InChI=1S/C16H16N6O2S/c1-9-13(15(18)23)14(17)22(21-9)11-8-12(20-16(19-11)25-2)24-10-6-4-3-5-7-10/h3-8H,17H2,1-2H3,(H2,18,23)