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

Systemtic Name: 1-(4-nitrophenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(4-nitrophenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(4-nitrophenyl)-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 1-(4-nitrophenyl)-6-phenacylsulfanyl-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(4-nitrophenyl)-6-(phenacylthio)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H13N5O4S MolecularWeight: 407.40262

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N5O4S/c25-16(12-4-2-1-3-5-12)11-29-19-21-17-15(18(26)22-19)10-20-23(17)13-6-8-14(9-7-13)24(27)28/h1-10,20H,11H2