2-[3-(2,5-dimethyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxidanyl-propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-(2,5-dimethyl-7-oxidanylidene-pyrazolo[1,5-a]pyrimidin-4-yl)-2-oxidanyl-propyl]isoindole-1,3-dione Openeye Name: 2-[3-(2,5-dimethyl-7-oxo-pyrazolo[1,5-a]pyrimidin-4-yl)-2-hydroxy-propyl]isoindoline-1,3-dione CAS Name: 2-[3-(2,5-dimethyl-7-oxo-4-pyrazolo[1,5-a]pyrimidinyl)-2-hydroxypropyl]isoindole-1,3-dione IUPAC Name: 2-[3-(2,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidin-4-yl)-2-hydroxypropyl]isoindole-1,3-dione Traditional Name: 2-[2-hydroxy-3-(7-keto-2,5-dimethyl-pyrazolo[1,5-a]pyrimidin-4-yl)propyl]isoindoline-1,3-quinone Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=CC(=N2)C)N1CC(CN3C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=CC(=O)N2C(=CC(=N2)C)N1CC(CN3C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C19H18N4O4/c1-11-7-16-21(12(2)8-17(25)23(16)20-11)9-13(24)10-22-18(26)14-5-3-4-6-15(14)19(22)27/h3-8,13,24H,9-10H2,1-2H3