2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propyl-ethanamide

Systemtic Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propyl-ethanamide Openeye Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propyl-acetamide CAS Name: 2-[[1-(2,4-dimethylphenyl)-4-pyrazolo[3,4-d]pyrimidinyl]thio]-N-propylacetamide IUPAC Name: 2-[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide Traditional Name: 2-[[1-(2,4-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]thio]-N-propyl-acetamide Formula: C18H21N5OS MolecularWeight: 355.45724

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=C(C=C(C=C3)C)C

Isomeric SMILES

CCCNC(=O)CSC1=NC=NC2=C1C=NN2C3=C(C=C(C=C3)C)C

InChI

InChI=1S/C18H21N5OS/c1-4-7-19-16(24)10-25-18-14-9-22-23(17(14)20-11-21-18)15-6-5-12(2)8-13(15)3/h5-6,8-9,11H,4,7,10H2,1-3H3,(H,19,24)