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

Systemtic Name: 5-methyl-1-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrazole-4-carboxamide Openeye Name: 5-methyl-1-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrazole-4-carboxamide CAS Name: 5-methyl-1-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-4-pyrazolecarboxamide IUPAC Name: 5-methyl-1-phenyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrazole-4-carboxamide Traditional Name: 5-methyl-1-phenyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]pyrazole-4-carboxamide Formula: C23H19N7OS MolecularWeight: 441.50826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C23H19N7OS/c1-15-19(12-27-30(15)18-8-3-2-4-9-18)22(31)28-17-7-5-6-16(10-17)13-32-23-20-11-26-29-21(20)24-14-25-23/h2-12,14H,13H2,1H3,(H,28,31)(H,24,25,26,29)