4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide

Systemtic Name: 4-(3-methyl-5-oxidanylidene-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Openeye Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide CAS Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide IUPAC Name: 4-(3-methyl-5-oxo-4H-pyrazol-1-yl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]benzamide Traditional Name: 4-(5-keto-3-methyl-2-pyrazolin-1-yl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]benzamide Formula: C23H19N7O2S MolecularWeight: 457.50766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

Isomeric SMILES

CC1=NN(C(=O)C1)C2=CC=C(C=C2)C(=O)NC3=CC=CC(=C3)CSC4=NC=NC5=C4C=NN5

InChI

InChI=1S/C23H19N7O2S/c1-14-9-20(31)30(29-14)18-7-5-16(6-8-18)22(32)27-17-4-2-3-15(10-17)12-33-23-19-11-26-28-21(19)24-13-25-23/h2-8,10-11,13H,9,12H2,1H3,(H,27,32)(H,24,25,26,28)