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

Systemtic Name: methyl 5-azanyl-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methylpyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-(3,5-dimethylphenoxy)-2-methyl-pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C19H21N5O3S MolecularWeight: 399.46674

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C(=O)OC)N)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC(=NC(=C2)N3C(=C(C(=N3)SC)C(=O)OC)N)C)C

InChI

InChI=1S/C19H21N5O3S/c1-10-6-11(2)8-13(7-10)27-15-9-14(21-12(3)22-15)24-17(20)16(19(25)26-4)18(23-24)28-5/h6-9H,20H2,1-5H3