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

Systemtic Name: 2-[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylethanoylamino]-N-(1-phenylethyl)benzamide Openeye Name: 2-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]-N-(1-phenylethyl)benzamide CAS Name: 2-[[2-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)thio]-1-oxoethyl]amino]-N-(1-phenylethyl)benzamide IUPAC Name: 2-[[2-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetyl]amino]-N-(1-phenylethyl)benzamide Traditional Name: 2-[[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)thio]acetyl]amino]-N-(1-phenylethyl)benzamide Formula: C23H22N6O2S MolecularWeight: 446.52478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3C=NN4C

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2NC(=O)CSC3=NC=NC4=C3C=NN4C

InChI

InChI=1S/C23H22N6O2S/c1-15(16-8-4-3-5-9-16)27-22(31)17-10-6-7-11-19(17)28-20(30)13-32-23-18-12-26-29(2)21(18)24-14-25-23/h3-12,14-15H,13H2,1-2H3,(H,27,31)(H,28,30)