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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N5O3S/c1-11(2)12-5-7-13(8-6-12)27-16-9-15(22-19(23-16)28-4)24-17(20)14(10-21-24)18(25)26-3/h5-11H,20H2,1-4H3