2-(propan-2-ylideneamino)oxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide

Systemtic Name: 2-(propan-2-ylideneamino)oxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Openeye Name: 2-(isopropylideneamino)oxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide CAS Name: 2-(propan-2-ylideneamino)oxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propanamide IUPAC Name: 2-(propan-2-ylideneamino)oxy-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]propanamide Traditional Name: 2-(isopropylideneamino)oxy-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]propionamide Formula: C18H20N6O2S MolecularWeight: 384.4554

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3)ON=C(C)C

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)CSC2=NC=NC3=C2C=NN3)ON=C(C)C

InChI

InChI=1S/C18H20N6O2S/c1-11(2)24-26-12(3)17(25)22-14-6-4-5-13(7-14)9-27-18-15-8-21-23-16(15)19-10-20-18/h4-8,10,12H,9H2,1-3H3,(H,22,25)(H,19,20,21,23)