2-[6-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide

Systemtic Name: 2-[6-(1-azanyl-1-oxidanylidene-propan-2-yl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide Openeye Name: 2-[6-(2-amino-1-methyl-2-oxo-ethyl)sulfanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide CAS Name: 2-[[6-[(1-amino-1-oxopropan-2-yl)thio]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl]thio]propanamide IUPAC Name: 2-[6-(1-amino-1-oxopropan-2-yl)sulfanyl-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropanamide Traditional Name: 2-[[6-[(2-amino-2-keto-1-methyl-ethyl)thio]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-yl]thio]propionamide Formula: C17H18N6O2S2 MolecularWeight: 402.49382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)SC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SC(C)C(=O)N

Isomeric SMILES

CC(C(=O)N)SC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SC(C)C(=O)N

InChI

InChI=1S/C17H18N6O2S2/c1-9(13(18)24)26-16-12-8-20-23(11-6-4-3-5-7-11)15(12)21-17(22-16)27-10(2)14(19)25/h3-10H,1-2H3,(H2,18,24)(H2,19,25)