1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(4-fluorophenyl)-4-[(3-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(4-fluorophenyl)-4-[(3-nitrobenzyl)thio]pyrazolo[3,4-d]pyrimidine Formula: C18H12FN5O2S MolecularWeight: 381.383583

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CSC2=NC=NC3=C2C=NN3C4=CC=C(C=C4)F

InChI

InChI=1S/C18H12FN5O2S/c19-13-4-6-14(7-5-13)23-17-16(9-22-23)18(21-11-20-17)27-10-12-2-1-3-15(8-12)24(25)26/h1-9,11H,10H2