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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=C(NN=C3)N=C2SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

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