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

Systemtic Name: 6-[(3-nitrophenyl)methylsulfanyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3-nitrophenyl)methylsulfanyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3-nitrophenyl)methylthio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3-nitrophenyl)methylsulfanyl]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-nitrobenzyl)thio]-1,2-dihydropyrazolo[3,4-d]pyrimidin-4-one Formula: C12H9N5O3S MolecularWeight: 303.29656

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=O)C3=CNNC3=N2

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC(=O)C3=CNNC3=N2

InChI

InChI=1S/C12H9N5O3S/c18-11-9-5-13-16-10(9)14-12(15-11)21-6-7-2-1-3-8(4-7)17(19)20/h1-5H,6H2,(H2,13,14,15,16,18)