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

Systemtic Name: butyl 6-[(5-methyl-1H-pyrazol-3-yl)amino]-2-[4-(propanoylamino)phenyl]sulfanyl-pyrimidine-4-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C22H26N6O3S MolecularWeight: 454.54524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC)NC3=NNC(=C3)C

Isomeric SMILES

CCCCOC(=O)C1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CC)NC3=NNC(=C3)C

InChI

InChI=1S/C22H26N6O3S/c1-4-6-11-31-21(30)17-13-18(25-19-12-14(3)27-28-19)26-22(24-17)32-16-9-7-15(8-10-16)23-20(29)5-2/h7-10,12-13H,4-6,11H2,1-3H3,(H,23,29)(H2,24,25,26,27,28)