N-(4-ethoxyphenyl)-4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[1-oxo-2-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]ethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]-N-p-phenetyl-benzamide Formula: C28H24N6O3S MolecularWeight: 524.59356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C28H24N6O3S/c1-2-37-23-14-12-21(13-15-23)33-27(36)19-8-10-20(11-9-19)32-25(35)17-38-28-24-16-31-34(26(24)29-18-30-28)22-6-4-3-5-7-22/h3-16,18H,2,17H2,1H3,(H,32,35)(H,33,36)