O-[[4-oxidanylidene-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-pyridin-2-yl-methyl] imidazole-1-carbothioate

Systemtic Name: O-[[4-oxidanylidene-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-pyridin-2-yl-methyl] imidazole-1-carbothioate Openeye Name: O-[[4-oxo-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-(2-pyridyl)methyl] imidazole-1-carbothioate CAS Name: 1-imidazolecarbothioic acid O-[[4-oxo-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-(2-pyridinyl)methyl] ester IUPAC Name: O-[[4-oxo-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-pyridin-2-ylmethyl] imidazole-1-carbothioate Traditional Name: imidazole-1-carbothioic acid O-[[4-keto-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-(2-pyridyl)methyl] ester Formula: C27H27N7O3S MolecularWeight: 529.61338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=NC(=NC(=O)C2=C(N1)C(C3=CC=CC=N3)OC(=S)N4C=CN=C4)C5=CC=CC=C5OCCC

Isomeric SMILES

CCCN1C2=NC(=NC(=O)C2=C(N1)C(C3=CC=CC=N3)OC(=S)N4C=CN=C4)C5=CC=CC=C5OCCC

InChI

InChI=1S/C27H27N7O3S/c1-3-14-34-25-21(26(35)31-24(30-25)18-9-5-6-11-20(18)36-16-4-2)22(32-34)23(19-10-7-8-12-29-19)37-27(38)33-15-13-28-17-33/h5-13,15,17,23,32H,3-4,14,16H2,1-2H3