1-(2-nitrophenyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 1-(2-nitrophenyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 1-(2-nitrophenyl)-5-[[5-(2-thienyl)isoxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 1-(2-nitrophenyl)-5-[(5-thiophen-2-yl-3-isoxazolyl)methyl]-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 1-(2-nitrophenyl)-5-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 1-(2-nitrophenyl)-5-[[5-(2-thienyl)isoxazol-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H12N6O4S MolecularWeight: 420.40138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=NOC(=C4)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC4=NOC(=C4)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C19H12N6O4S/c26-19-13-9-21-24(14-4-1-2-5-15(14)25(27)28)18(13)20-11-23(19)10-12-8-16(29-22-12)17-6-3-7-30-17/h1-9,11H,10H2