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

Systemtic Name: 3-(4-azanyl-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropanamide Openeye Name: 3-(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropanamide CAS Name: 3-[(4-amino-1-phenyl-6-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: 3-(4-amino-1-phenylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylpropanamide Traditional Name: 3-[(4-amino-1-phenyl-pyrazolo[3,4-d]pyrimidin-6-yl)thio]propionamide Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCCC(=O)N)N

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC(=N3)SCCC(=O)N)N

InChI

InChI=1S/C14H14N6OS/c15-11(21)6-7-22-14-18-12(16)10-8-17-20(13(10)19-14)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H2,15,21)(H2,16,18,19)