3-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-ethyl-propanamide

Systemtic Name: 3-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-ethyl-propanamide Openeye Name: 3-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-ethyl-propanamide CAS Name: 3-[(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]-N-ethylpropanamide IUPAC Name: 3-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl-N-ethylpropanamide Traditional Name: 3-[(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-ethyl-propionamide Formula: C16H18N6OS MolecularWeight: 342.41872

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)CCSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N

Isomeric SMILES

CCNC(=O)CCSC1=NC2=C(C=NN2C3=CC=CC=C3)C(=N1)N

InChI

InChI=1S/C16H18N6OS/c1-2-18-13(23)8-9-24-16-20-14(17)12-10-19-22(15(12)21-16)11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3,(H,18,23)(H2,17,20,21)