N-[4-(2-azanylideneethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide

Systemtic Name: N-[4-(2-azanylideneethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Openeye Name: N-[4-(2-iminoethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide CAS Name: N-[4-(2-iminoethyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide IUPAC Name: N-[4-(2-iminoethyl)phenyl]-3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)benzamide Traditional Name: N-[4-(2-iminoethyl)phenyl]-3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]benzamide Formula: C21H18N6OS MolecularWeight: 402.47222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NC4=CC=C(C=C4)CC=N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NC=NC3=C2C=NN3)C(=O)NC4=CC=C(C=C4)CC=N

InChI

InChI=1S/C21H18N6OS/c22-9-8-14-4-6-17(7-5-14)26-20(28)16-3-1-2-15(10-16)12-29-21-18-11-25-27-19(18)23-13-24-21/h1-7,9-11,13,22H,8,12H2,(H,26,28)(H,23,24,25,27)