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

Systemtic Name: 1-(4-nitrophenyl)-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-allylsulfanyl-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-nitrophenyl)-6-(prop-2-enylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-nitrophenyl)-6-prop-2-enylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-(allylthio)-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C14H11N5O3S MolecularWeight: 329.33384

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C=CCSC1=NC(=O)C2=CNN(C2=N1)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N5O3S/c1-2-7-23-14-16-12-11(13(20)17-14)8-15-18(12)9-3-5-10(6-4-9)19(21)22/h2-6,8,15H,1,7H2