N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indazole-3-carboxamide

Systemtic Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indazole-3-carboxamide Openeye Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indazole-3-carboxamide CAS Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indazole-3-carboxamide IUPAC Name: N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-indazole-3-carboxamide Traditional Name: N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-indazole-3-carboxamide Formula: C20H15N7OS MolecularWeight: 401.4444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C20H15N7OS/c28-19(17-14-6-1-2-7-16(14)25-26-17)24-13-5-3-4-12(8-13)10-29-20-15-9-23-27-18(15)21-11-22-20/h1-9,11H,10H2,(H,24,28)(H,25,26)(H,21,22,23,27)