2-(1-methylimidazol-4-yl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide

Systemtic Name: 2-(1-methylimidazol-4-yl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]ethanamide Openeye Name: 2-(1-methylimidazol-4-yl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide CAS Name: 2-(1-methyl-4-imidazolyl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide IUPAC Name: 2-(1-methylimidazol-4-yl)-N-[3-(1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanylmethyl)phenyl]acetamide Traditional Name: 2-(1-methylimidazol-4-yl)-N-[3-[(1H-pyrazolo[3,4-d]pyrimidin-4-ylthio)methyl]phenyl]acetamide Formula: C18H17N7OS MolecularWeight: 379.43888

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(N=C1)CC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

Isomeric SMILES

CN1C=C(N=C1)CC(=O)NC2=CC=CC(=C2)CSC3=NC=NC4=C3C=NN4

InChI

InChI=1S/C18H17N7OS/c1-25-8-14(21-11-25)6-16(26)23-13-4-2-3-12(5-13)9-27-18-15-7-22-24-17(15)19-10-20-18/h2-5,7-8,10-11H,6,9H2,1H3,(H,23,26)(H,19,20,22,24)