3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole

Systemtic Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Openeye Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-5-(2-thienyl)isoxazole CAS Name: 3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]methyl]-5-thiophen-2-ylisoxazole IUPAC Name: 3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylmethyl]-5-thiophen-2-yl-1,2-oxazole Traditional Name: 3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]methyl]-5-(2-thienyl)isoxazole Formula: C19H13N5OS2 MolecularWeight: 391.46942

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NOC(=C4)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC4=NOC(=C4)C5=CC=CS5

InChI

InChI=1S/C19H13N5OS2/c1-2-5-14(6-3-1)24-18-15(10-22-24)19(21-12-20-18)27-11-13-9-16(25-23-13)17-7-4-8-26-17/h1-10,12H,11H2