methyl 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(propanoylamino)phenyl]sulfanyl-pyrimidine-4-carboxylate

Systemtic Name: methyl 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(propanoylamino)phenyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: methyl 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(propanoylamino)phenyl]sulfanyl-pyrimidine-4-carboxylate CAS Name: 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[[4-(1-oxopropylamino)phenyl]thio]-4-pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(propanoylamino)phenyl]sulfanylpyrimidine-4-carboxylate Traditional Name: 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[(4-propionamidophenyl)thio]pyrimidine-4-carboxylic acid methyl ester Formula: C19H20N6O3S MolecularWeight: 412.4655

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)C(=O)OC

Isomeric SMILES

CCC(=O)NC1=CC=C(C=C1)SC2=NC(=CC(=N2)NC3=NNC(=C3)C)C(=O)OC

InChI

InChI=1S/C19H20N6O3S/c1-4-17(26)20-12-5-7-13(8-6-12)29-19-21-14(18(27)28-3)10-15(23-19)22-16-9-11(2)24-25-16/h5-10H,4H2,1-3H3,(H,20,26)(H2,21,22,23,24,25)