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

Systemtic Name: N-(furan-2-ylmethyl)-2-[3-(1-methyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Openeye Name: N-(2-furylmethyl)-2-[3-(1-methyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide CAS Name: N-(2-furanylmethyl)-2-[[3-(1-methyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzamide IUPAC Name: N-(furan-2-ylmethyl)-2-[3-(1-methyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Traditional Name: N-(2-furfuryl)-2-[3-(4-keto-1-methyl-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzamide Formula: C21H20N6O4 MolecularWeight: 420.4213

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=CC=C3C(=O)NCC4=CC=CO4

InChI

InChI=1S/C21H20N6O4/c1-26-19-16(12-24-26)21(30)27(13-23-19)9-8-18(28)25-17-7-3-2-6-15(17)20(29)22-11-14-5-4-10-31-14/h2-7,10,12-13H,8-9,11H2,1H3,(H,22,29)(H,25,28)