5-(2-ethoxyphenyl)-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-(2-ethoxyphenyl)-6-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-(2-ethoxyphenyl)-6-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-(2-ethoxyphenyl)-6-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-(2-ethoxyphenyl)-6-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 6-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-5-o-phenetyl-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C21H17N5O5S MolecularWeight: 451.45518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2C(=O)C3=C(NN=C3)N=C2SCC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O5S/c1-2-31-18-9-4-3-8-16(18)25-20(28)15-11-22-24-19(15)23-21(25)32-12-17(27)13-6-5-7-14(10-13)26(29)30/h3-11H,2,12H2,1H3,(H,22,24)