N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(4-oxidanylidene-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-[(4-oxo-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)sulfanyl]acetamide Traditional Name: 2-[(4-keto-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C21H18N6O5S MolecularWeight: 466.46982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H18N6O5S/c1-12-8-16(27(30)31)17(32-2)9-15(12)23-18(28)11-33-21-24-19-14(20(29)25-21)10-22-26(19)13-6-4-3-5-7-13/h3-10,22H,11H2,1-2H3,(H,23,28)