5-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole

Systemtic Name: 5-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole Openeye Name: 5-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]-3-(4-pyridyl)-1,2,4-oxadiazole CAS Name: 5-[3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propyl]-3-pyridin-4-yl-1,2,4-oxadiazole IUPAC Name: 5-[3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropyl]-3-pyridin-4-yl-1,2,4-oxadiazole Traditional Name: 5-[3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propyl]-3-(4-pyridyl)-1,2,4-oxadiazole Formula: C21H17N7OS MolecularWeight: 415.47098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCC4=NC(=NO4)C5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCCCC4=NC(=NO4)C5=CC=NC=C5

InChI

InChI=1S/C21H17N7OS/c1-2-5-16(6-3-1)28-20-17(13-25-28)21(24-14-23-20)30-12-4-7-18-26-19(27-29-18)15-8-10-22-11-9-15/h1-3,5-6,8-11,13-14H,4,7,12H2