N-[2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide

Systemtic Name: N-[2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide Openeye Name: N-[2-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide CAS Name: N-[2-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]phenyl]benzamide IUPAC Name: N-[2-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide Traditional Name: N-[2-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]phenyl]benzamide Formula: C22H20N6O3 MolecularWeight: 416.4326

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3NC(=O)C4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H20N6O3/c1-27-20-16(13-24-27)22(31)28(14-23-20)12-11-19(29)25-17-9-5-6-10-18(17)26-21(30)15-7-3-2-4-8-15/h2-10,13-14H,11-12H2,1H3,(H,25,29)(H,26,30)