2-[3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide

Systemtic Name: 2-[3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Openeye Name: 2-[3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: 2-[[3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzamide IUPAC Name: 2-[3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Traditional Name: 2-[3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Formula: C19H22N6O3 MolecularWeight: 382.41638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)N

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)N

InChI

InChI=1S/C19H22N6O3/c1-19(2,3)25-17-13(10-22-25)18(28)24(11-21-17)9-8-15(26)23-14-7-5-4-6-12(14)16(20)27/h4-7,10-11H,8-9H2,1-3H3,(H2,20,27)(H,23,26)