5-(4-chlorophenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(4-chlorophenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(4-chlorophenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(4-chlorophenyl)-6-[(3-nitrophenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(4-chlorophenyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(4-chlorophenyl)-6-[(3-nitrobenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H12ClN5O3S MolecularWeight: 413.83758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC3=C(C=NN3)C(=O)N2C4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H12ClN5O3S/c19-12-4-6-13(7-5-12)23-17(25)15-9-20-22-16(15)21-18(23)28-10-11-2-1-3-14(8-11)24(26)27/h1-9H,10H2,(H,20,22)