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

Systemtic Name: 4-[(4-nitrophenyl)methylsulfanyl]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-benzyl-4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-[(4-nitrophenyl)methylthio]-1-(phenylmethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-benzyl-4-[(4-nitrophenyl)methylsulfanyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 1-benzyl-4-[(4-nitrobenzyl)thio]pyrazolo[3,4-d]pyrimidine Formula: C19H15N5O2S MolecularWeight: 377.4197

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN2C3=C(C=N2)C(=NC=N3)SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O2S/c25-24(26)16-8-6-15(7-9-16)12-27-19-17-10-22-23(18(17)20-13-21-19)11-14-4-2-1-3-5-14/h1-10,13H,11-12H2