N-(4-ethoxyphenyl)-4-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide

Systemtic Name: N-(4-ethoxyphenyl)-4-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Openeye Name: N-(4-ethoxyphenyl)-4-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: N-(4-ethoxyphenyl)-4-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzamide IUPAC Name: N-(4-ethoxyphenyl)-4-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Traditional Name: 4-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]-N-p-phenetyl-benzamide Formula: C24H24N6O4 MolecularWeight: 460.48516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)CCN3C=NC4=C(C3=O)C=NN4C

InChI

InChI=1S/C24H24N6O4/c1-3-34-19-10-8-18(9-11-19)28-23(32)16-4-6-17(7-5-16)27-21(31)12-13-30-15-25-22-20(24(30)33)14-26-29(22)2/h4-11,14-15H,3,12-13H2,1-2H3,(H,27,31)(H,28,32)