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

Systemtic Name: 5-naphthalen-1-yl-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(1-naphthyl)-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(1-naphthalenyl)-6-[(3-nitrophenyl)methylthio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-naphthalen-1-yl-6-[(3-nitrophenyl)methylsulfanyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-(1-naphthyl)-6-[(3-nitrobenzyl)thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C22H15N5O3S MolecularWeight: 429.4512

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=C(NN=C4)N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=C(NN=C4)N=C3SCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H15N5O3S/c28-21-18-12-23-25-20(18)24-22(31-13-14-5-3-8-16(11-14)27(29)30)26(21)19-10-4-7-15-6-1-2-9-17(15)19/h1-12H,13H2,(H,23,25)