N-(5-methyl-1,2-oxazol-3-yl)-3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Openeye Name: N-(5-methylisoxazol-3-yl)-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide CAS Name: N-(5-methyl-3-isoxazolyl)-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-3-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]propanamide Traditional Name: 3-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(5-methylisoxazol-3-yl)propionamide Formula: C18H16N6O3S MolecularWeight: 396.42304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CCSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

InChI

InChI=1S/C18H16N6O3S/c1-11-9-14(23-27-11)20-15(25)7-8-28-18-21-16-13(17(26)22-18)10-19-24(16)12-5-3-2-4-6-12/h2-6,9-10,19H,7-8H2,1H3,(H,20,23,25)