N-[(phenylmethyl)carbamoyl]-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide

Systemtic Name: N-[(phenylmethyl)carbamoyl]-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide Openeye Name: N-(benzylcarbamoyl)-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-propanamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide Traditional Name: N-(benzylcarbamoyl)-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]propionamide Formula: C22H20N6O2S MolecularWeight: 432.4982

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)NC(=O)CCSC2=NC=NC3=C2C=NN3C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O2S/c29-19(27-22(30)23-13-16-7-3-1-4-8-16)11-12-31-21-18-14-26-28(20(18)24-15-25-21)17-9-5-2-6-10-17/h1-10,14-15H,11-13H2,(H2,23,27,29,30)