1-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropan-2-one

Systemtic Name: 1-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropan-2-one Openeye Name: 1-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropan-2-one CAS Name: 1-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-2-propanone IUPAC Name: 1-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylpropan-2-one Traditional Name: 1-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]acetone Formula: C16H16N4OS MolecularWeight: 312.38944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C3=C(C=N2)C(=NC=N3)SCC(=O)C)C

InChI

InChI=1S/C16H16N4OS/c1-10-4-5-14(11(2)6-10)20-15-13(7-19-20)16(18-9-17-15)22-8-12(3)21/h4-7,9H,8H2,1-3H3