9,10-bis(oxidanylidene)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]anthracene-2-carboxamide

Systemtic Name: 9,10-bis(oxidanylidene)-N-[(2S)-3-oxidanyl-1-oxidanylidene-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]anthracene-2-carboxamide Openeye Name: N-[(1S)-1-(hydroxymethyl)-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-9,10-dioxo-anthracene-2-carboxamide CAS Name: N-[(2S)-3-hydroxy-1-oxo-1-[4-(2-pyrimidinyl)-1-piperazinyl]propan-2-yl]-9,10-dioxo-2-anthracenecarboxamide IUPAC Name: N-[(2S)-3-hydroxy-1-oxo-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-yl]-9,10-dioxoanthracene-2-carboxamide Traditional Name: 9,10-diketo-N-[(1S)-2-keto-1-methylol-2-[4-(2-pyrimidyl)piperazino]ethyl]anthracene-2-carboxamide Formula: C26H23N5O5 MolecularWeight: 485.49132

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C(CO)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)[C@H](CO)NC(=O)C3=CC4=C(C=C3)C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H23N5O5/c32-15-21(25(36)30-10-12-31(13-11-30)26-27-8-3-9-28-26)29-24(35)16-6-7-19-20(14-16)23(34)18-5-2-1-4-17(18)22(19)33/h1-9,14,21,32H,10-13,15H2,(H,29,35)/t21-/m0/s1