2,5-dimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]pyrazole-3-carboxamide Formula: C18H17N7OS MolecularWeight: 379.43888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4)C

InChI

InChI=1S/C18H17N7OS/c1-11-6-15(25(2)24-11)17(26)22-13-5-3-4-12(7-13)9-27-18-14-8-21-23-16(14)19-10-20-18/h3-8,10H,9H2,1-2H3,(H,22,26)(H,19,20,21,23)