N-(9-ethylcarbazol-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-(9-ethylcarbazol-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-(9-ethylcarbazol-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-(9-ethyl-3-carbazolyl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-(9-ethylcarbazol-3-yl)-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-(9-ethylcarbazol-3-yl)-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C27H22N6OS MolecularWeight: 478.56818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5)C6=CC=CC=C61

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)CSC4=NC=NC5=C4C=NN5)C6=CC=CC=C61

InChI

InChI=1S/C27H22N6OS/c1-2-33-23-9-4-3-8-20(23)21-13-19(10-11-24(21)33)31-26(34)18-7-5-6-17(12-18)15-35-27-22-14-30-32-25(22)28-16-29-27/h3-14,16H,2,15H2,1H3,(H,31,34)(H,28,29,30,32)