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

Systemtic Name: 6-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(3-nitrophenyl)methylthio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(3-nitrophenyl)methylsulfanyl]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(3-nitrobenzyl)thio]-5-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H13N5O3S MolecularWeight: 379.39252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N5O3S/c24-17-15-10-19-21-16(15)20-18(22(17)13-6-2-1-3-7-13)27-11-12-5-4-8-14(9-12)23(25)26/h1-10H,11H2,(H,19,21)