N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C21H17N7O2S MolecularWeight: 431.47038

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)NC(=O)N2)SC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H17N7O2S/c1-12(19(29)25-13-7-8-16-17(9-13)27-21(30)26-16)31-20-15-10-24-28(18(15)22-11-23-20)14-5-3-2-4-6-14/h2-12H,1H3,(H,25,29)(H2,26,27,30)