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

Systemtic Name: methyl 5-azanyl-3-methylsulfanyl-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxylate Openeye Name: methyl 5-amino-3-methylsulfanyl-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxylate CAS Name: 5-amino-3-(methylthio)-1-(6-phenoxy-4-pyrimidinyl)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-3-methylsulfanyl-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-amino-3-(methylthio)-1-(6-phenoxypyrimidin-4-yl)pyrazole-4-carboxylic acid methyl ester Formula: C16H15N5O3S MolecularWeight: 357.387

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)OC3=CC=CC=C3)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SC)C2=CC(=NC=N2)OC3=CC=CC=C3)N

InChI

InChI=1S/C16H15N5O3S/c1-23-16(22)13-14(17)21(20-15(13)25-2)11-8-12(19-9-18-11)24-10-6-4-3-5-7-10/h3-9H,17H2,1-2H3