2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-propylphenyl)ethanone

Systemtic Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-propylphenyl)ethanone Openeye Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-propylphenyl)ethanone CAS Name: 2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-(4-propylphenyl)ethanone IUPAC Name: 2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-1-(4-propylphenyl)ethanone Traditional Name: 2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]-1-(4-propylphenyl)ethanone Formula: C17H18N4OS MolecularWeight: 326.41602

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=O)CSC2=NC=NC3=C2C=NN3C

InChI

InChI=1S/C17H18N4OS/c1-3-4-12-5-7-13(8-6-12)15(22)10-23-17-14-9-20-21(2)16(14)18-11-19-17/h5-9,11H,3-4,10H2,1-2H3