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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C3=NC(=NC(=O)C3=CN2)SCC4=CC=C(C=C4)[N+](=O)[O-])C

InChI

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