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

Systemtic Name: 1-(2-hydroxyethyl)-6-[(4-nitrophenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-hydroxyethyl)-6-[(4-nitrophenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-hydroxyethyl)-6-[(4-nitrophenyl)methylthio]-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(2-hydroxyethyl)-6-[(4-nitrophenyl)methylsulfanyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-hydroxyethyl)-6-[(4-nitrobenzyl)thio]-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H13N5O4S MolecularWeight: 347.34912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)CCO)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSC2=NC(=O)C3=CNN(C3=N2)CCO)[N+](=O)[O-]

InChI

InChI=1S/C14H13N5O4S/c20-6-5-18-12-11(7-15-18)13(21)17-14(16-12)24-8-9-1-3-10(4-2-9)19(22)23/h1-4,7,15,20H,5-6,8H2