cyclohexyl 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate

Systemtic Name: cyclohexyl 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)ethanoate Openeye Name: cyclohexyl 2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate CAS Name: 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-phenyl-2-(4-sulfanylidene-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate Traditional Name: 2-phenyl-2-(4-thioxo-1H-pyrazolo[3,4-d]pyrimidin-5-yl)acetic acid cyclohexyl ester Formula: C19H20N4O2S MolecularWeight: 368.4527

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4

Isomeric SMILES

C1CCC(CC1)OC(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=S)C=NN4

InChI

InChI=1S/C19H20N4O2S/c24-19(25-14-9-5-2-6-10-14)16(13-7-3-1-4-8-13)23-12-20-17-15(18(23)26)11-21-22-17/h1,3-4,7-8,11-12,14,16H,2,5-6,9-10H2,(H,21,22)