2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-benzoxazole

Systemtic Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-benzoxazole Openeye Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-benzoxazole CAS Name: 2-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-1,3-benzoxazole IUPAC Name: 2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-1,3-benzoxazole Traditional Name: 2-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-1,3-benzoxazole Formula: C19H13N5OS MolecularWeight: 359.40442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NC5=CC=CC=C5O4

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NC5=CC=CC=C5O4

InChI

InChI=1S/C19H13N5OS/c1-2-6-13(7-3-1)24-18-14(10-22-24)19(21-12-20-18)26-11-17-23-15-8-4-5-9-16(15)25-17/h1-10,12H,11H2