sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(pyrimidin-2-ylamino)phenyl]amino]anthracene-2-sulfonate

Systemtic Name: sodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(pyrimidin-2-ylamino)phenyl]amino]anthracene-2-sulfonate Openeye Name: sodium 1-amino-9,10-dioxo-4-[4-(pyrimidin-2-ylamino)anilino]anthracene-2-sulfonate CAS Name: sodium 1-amino-9,10-dioxo-4-[4-(2-pyrimidinylamino)anilino]-2-anthracenesulfonate IUPAC Name: sodium 1-amino-9,10-dioxo-4-[4-(pyrimidin-2-ylamino)anilino]anthracene-2-sulfonate Traditional Name: sodium 1-amino-9,10-diketo-4-[4-(2-pyrimidylamino)anilino]anthracene-2-sulfonate Formula: C24H16N5NaO5S MolecularWeight: 509.46911

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)NC5=NC=CC=N5)S(=O)(=O)[O-])N.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3NC4=CC=C(C=C4)NC5=NC=CC=N5)S(=O)(=O)[O-])N.[Na+]

InChI

InChI=1S/C24H17N5O5S.Na/c25-21-18(35(32,33)34)12-17(19-20(21)23(31)16-5-2-1-4-15(16)22(19)30)28-13-6-8-14(9-7-13)29-24-26-10-3-11-27-24;/h1-12,28H,25H2,(H,26,27,29)(H,32,33,34);/q;+1/p-1