N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-[3-(1-azepanylsulfonyl)phenyl]-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]acetamide IUPAC Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide Traditional Name: N-[3-(azepan-1-ylsulfonyl)phenyl]-2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetamide Formula: C25H26N6O3S2 MolecularWeight: 522.64234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C25H26N6O3S2/c32-23(29-19-9-8-12-21(15-19)36(33,34)30-13-6-1-2-7-14-30)17-35-25-22-16-28-31(24(22)26-18-27-25)20-10-4-3-5-11-20/h3-5,8-12,15-16,18H,1-2,6-7,13-14,17H2,(H,29,32)