6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 6-[(2,5-dimethylphenyl)methylthio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 6-[(2,5-dimethylphenyl)methylsulfanyl]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[(2,5-dimethylbenzyl)thio]-1-(4-nitrophenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H17N5O3S MolecularWeight: 407.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O3S/c1-12-3-4-13(2)14(9-12)11-29-20-22-18-17(19(26)23-20)10-21-24(18)15-5-7-16(8-6-15)25(27)28/h3-10,21H,11H2,1-2H3