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

Systemtic Name: N,N-diethyl-4-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Openeye Name: N,N-diethyl-4-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: N,N-diethyl-4-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzamide IUPAC Name: N,N-diethyl-4-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Traditional Name: N,N-diethyl-4-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Formula: C20H24N6O3 MolecularWeight: 396.44296

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

Isomeric SMILES

CCN(CC)C(=O)C1=CC=C(C=C1)NC(=O)CCN2C=NC3=C(C2=O)C=NN3C

InChI

InChI=1S/C20H24N6O3/c1-4-25(5-2)19(28)14-6-8-15(9-7-14)23-17(27)10-11-26-13-21-18-16(20(26)29)12-22-24(18)3/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,23,27)