ethyl 3-methyl-4-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-benzothiazine-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-[6-(phenylmethylsulfanyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-benzothiazine-2-carboxylate Openeye Name: ethyl 4-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-1,4-benzothiazine-2-carboxylate CAS Name: 3-methyl-4-[6-(phenylmethylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-1,4-benzothiazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(6-benzylsulfanyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-methyl-1,4-benzothiazine-2-carboxylate Traditional Name: 4-[6-(benzylthio)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-3-methyl-1,4-benzothiazine-2-carboxylic acid ethyl ester Formula: C24H21N5O2S2 MolecularWeight: 475.58584

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=CC=CC=C2S1)C3=NC(=NC4=C3C=NN4)SCC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(N(C2=CC=CC=C2S1)C3=NC(=NC4=C3C=NN4)SCC5=CC=CC=C5)C

InChI

InChI=1S/C24H21N5O2S2/c1-3-31-23(30)20-15(2)29(18-11-7-8-12-19(18)33-20)22-17-13-25-28-21(17)26-24(27-22)32-14-16-9-5-4-6-10-16/h4-13H,3,14H2,1-2H3,(H,25,26,27,28)