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

Systemtic Name: methyl 5-azanyl-1-[6-(2-methylphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[6-(2-methylphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-(2-methylphenoxy)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[6-(2-methylphenoxy)pyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-(2-methylphenoxy)pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C17H17N5O3S MolecularWeight: 371.41358

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OC2=NC=NC(=C2)N3C(=C(C(=N3)SC)C(=O)OC)N

Isomeric SMILES

CC1=CC=CC=C1OC2=NC=NC(=C2)N3C(=C(C(=N3)SC)C(=O)OC)N

InChI

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