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

Systemtic Name: methyl 5-azanyl-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-[6-(2,5-dimethylphenoxy)-4-pyrimidinyl]-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-[6-(2,5-dimethylphenoxy)pyrimidin-4-yl]-3-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S/c1-10-5-6-11(2)12(7-10)26-14-8-13(20-9-21-14)23-16(19)15(18(24)25-3)17(22-23)27-4/h5-9H,19H2,1-4H3