2-(1-phenyl-4-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylbutanamide

Systemtic Name: 2-(1-phenyl-4-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylbutanamide Openeye Name: 2-(1-phenyl-4-propylsulfanyl-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanylbutanamide CAS Name: 2-[[1-phenyl-4-(propylthio)-6-pyrazolo[3,4-d]pyrimidinyl]thio]butanamide IUPAC Name: 2-(1-phenyl-4-propylsulfanylpyrazolo[3,4-d]pyrimidin-6-yl)sulfanylbutanamide Traditional Name: 2-[[1-phenyl-4-(propylthio)pyrazolo[3,4-d]pyrimidin-6-yl]thio]butyramide Formula: C18H21N5OS2 MolecularWeight: 387.52224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SC(CC)C(=O)N

Isomeric SMILES

CCCSC1=NC(=NC2=C1C=NN2C3=CC=CC=C3)SC(CC)C(=O)N

InChI

InChI=1S/C18H21N5OS2/c1-3-10-25-17-13-11-20-23(12-8-6-5-7-9-12)16(13)21-18(22-17)26-14(4-2)15(19)24/h5-9,11,14H,3-4,10H2,1-2H3,(H2,19,24)