ethyl 5-azanyl-1-(2-methylsulfanyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carboxylate

Systemtic Name: ethyl 5-azanyl-1-(2-methylsulfanyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carboxylate Openeye Name: ethyl 5-amino-1-(2-methylsulfanyl-6-phenoxy-pyrimidin-4-yl)pyrazole-4-carboxylate CAS Name: 5-amino-1-[2-(methylthio)-6-phenoxy-4-pyrimidinyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-1-(2-methylsulfanyl-6-phenoxypyrimidin-4-yl)pyrazole-4-carboxylate Traditional Name: 5-amino-1-[2-(methylthio)-6-phenoxy-pyrimidin-4-yl]pyrazole-4-carboxylic acid ethyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S/c1-3-24-16(23)12-10-19-22(15(12)18)13-9-14(21-17(20-13)26-2)25-11-7-5-4-6-8-11/h4-10H,3,18H2,1-2H3