N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]butanamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]butyramide Formula: C19H18N6O2S MolecularWeight: 394.45022

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

CCC(C(=O)NC1=NOC(=C1)C)SC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C19H18N6O2S/c1-3-15(18(26)23-16-9-12(2)27-24-16)28-19-14-10-22-25(17(14)20-11-21-19)13-7-5-4-6-8-13/h4-11,15H,3H2,1-2H3,(H,23,24,26)