3-cyclohexyl-2,6-bis(oxidanylidene)-5-[(1S)-3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]pyrimidin-4-olate

Systemtic Name: 3-cyclohexyl-2,6-bis(oxidanylidene)-5-[(1S)-3-oxidanylidene-2-(phenylmethyl)-1H-isoindol-1-yl]pyrimidin-4-olate Openeye Name: 5-[(1S)-2-benzyl-3-oxo-isoindolin-1-yl]-3-cyclohexyl-2,6-dioxo-pyrimidin-4-olate CAS Name: 3-cyclohexyl-2,6-dioxo-5-[(1S)-3-oxo-2-(phenylmethyl)-1H-isoindol-1-yl]-4-pyrimidinolate IUPAC Name: 5-[(1S)-2-benzyl-3-oxo-1H-isoindol-1-yl]-3-cyclohexyl-2,6-dioxopyrimidin-4-olate Traditional Name: 5-[(1S)-2-benzyl-3-keto-isoindolin-1-yl]-3-cyclohexyl-2,6-diketo-pyrimidin-4-olate Formula: C25H24N3O4- MolecularWeight: 430.47576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=C(C(=O)NC2=O)C3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)[O-]

Isomeric SMILES

C1CCC(CC1)N2C(=C(C(=O)NC2=O)[C@@H]3C4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)[O-]

InChI

InChI=1S/C25H25N3O4/c29-22-20(24(31)28(25(32)26-22)17-11-5-2-6-12-17)21-18-13-7-8-14-19(18)23(30)27(21)15-16-9-3-1-4-10-16/h1,3-4,7-10,13-14,17,21,31H,2,5-6,11-12,15H2,(H,26,29,32)/p-1/t21-/m0/s1