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

Systemtic Name: methyl 4-[3-(1-tert-butyl-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Openeye Name: methyl 4-[3-(1-tert-butyl-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate CAS Name: 4-[[3-(1-tert-butyl-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(1-tert-butyl-4-oxopyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoate Traditional Name: 4-[3-(1-tert-butyl-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl)propanoylamino]benzoic acid methyl ester Formula: C20H23N5O4 MolecularWeight: 397.42772

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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=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C20H23N5O4/c1-20(2,3)25-17-15(11-22-25)18(27)24(12-21-17)10-9-16(26)23-14-7-5-13(6-8-14)19(28)29-4/h5-8,11-12H,9-10H2,1-4H3,(H,23,26)