1-(2-hydroxyethyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-hydroxyethyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-hydroxyethyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxyethyl)-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxyethyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-hydroxyethyl)-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H14N4O3S MolecularWeight: 330.36166

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)CCO

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)CCO

InChI

InChI=1S/C15H14N4O3S/c20-7-6-19-13-11(8-16-19)14(22)18-15(17-13)23-9-12(21)10-4-2-1-3-5-10/h1-5,8,16,20H,6-7,9H2