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

Systemtic Name: O-[[4-oxidanylidene-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-pyrimidin-2-yl-methyl] imidazole-1-carbothioate Openeye Name: O-[[4-oxo-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-pyrimidin-2-yl-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-pyrimidinyl)methyl] ester IUPAC Name: O-[[4-oxo-6-(2-propoxyphenyl)-1-propyl-2H-pyrazolo[3,4-d]pyrimidin-3-yl]-pyrimidin-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-pyrimidyl)methyl] ester Formula: C26H26N8O3S MolecularWeight: 530.60144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26N8O3S/c1-3-13-34-24-19(25(35)31-22(30-24)17-8-5-6-9-18(17)36-15-4-2)20(32-34)21(23-28-10-7-11-29-23)37-26(38)33-14-12-27-16-33/h5-12,14,16,21,32H,3-4,13,15H2,1-2H3