3-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]anilino)propanamide CAS Name: 3-(N-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]anilino)propionamide Formula: C17H18N6O2S MolecularWeight: 370.42882

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C17H18N6O2S/c1-22-16-13(9-21-22)17(20-11-19-16)26-10-15(25)23(8-7-14(18)24)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3,(H2,18,24)