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

Systemtic Name: 5-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyrazole-3-carboxamide Openeye Name: 5-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyrazole-3-carboxamide CAS Name: 5-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-pyrazole-3-carboxamide IUPAC Name: 5-methyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]-1H-pyrazole-3-carboxamide Traditional Name: 5-methyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-1H-pyrazole-3-carboxamide Formula: C17H15N7OS MolecularWeight: 365.4123

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CC1=CC(=NN1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C17H15N7OS/c1-10-5-14(23-22-10)16(25)21-12-4-2-3-11(6-12)8-26-17-13-7-20-24-15(13)18-9-19-17/h2-7,9H,8H2,1H3,(H,21,25)(H,22,23)(H,18,19,20,24)