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

Systemtic Name: N-(4-ethoxyphenyl)-4-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]benzamide Traditional Name: 4-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]-N-p-phenetyl-benzamide Formula: C23H22N6O3S MolecularWeight: 462.52418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C23H22N6O3S/c1-3-32-18-10-8-17(9-11-18)28-22(31)15-4-6-16(7-5-15)27-20(30)13-33-23-19-12-26-29(2)21(19)24-14-25-23/h4-12,14H,3,13H2,1-2H3,(H,27,30)(H,28,31)