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

Systemtic Name: N-[4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoyl]phenyl]butanamide Openeye Name: N-[4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]butanamide CAS Name: N-[4-[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]phenyl]butanamide IUPAC Name: N-[4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]phenyl]butanamide Traditional Name: N-[4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]phenyl]butyramide Formula: C18H19N5O2S MolecularWeight: 369.44076

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C18H19N5O2S/c1-3-4-16(25)22-13-7-5-12(6-8-13)15(24)10-26-18-14-9-21-23(2)17(14)19-11-20-18/h5-9,11H,3-4,10H2,1-2H3,(H,22,25)