methyl 5-azanyl-3-methylsulfanyl-1-(6-phenylazanylpyrimidin-4-yl)pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-3-methylsulfanyl-1-(6-phenylazanylpyrimidin-4-yl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-(6-anilinopyrimidin-4-yl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(6-anilino-4-pyrimidinyl)-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(6-anilinopyrimidin-4-yl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(6-anilinopyrimidin-4-yl)-3-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C16H16N6O2S MolecularWeight: 356.40224

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)NC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)NC3=CC=CC=C3)N

InChI

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