disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(pyrimidin-2-ylamino)-3-sulfonato-phenyl]amino]anthracene-2-sulfonate

Systemtic Name: disodium 1-azanyl-9,10-bis(oxidanylidene)-4-[[4-(pyrimidin-2-ylamino)-3-sulfonato-phenyl]amino]anthracene-2-sulfonate Openeye Name: disodium 1-amino-9,10-dioxo-4-[4-(pyrimidin-2-ylamino)-3-sulfonato-anilino]anthracene-2-sulfonate CAS Name: disodium 1-amino-9,10-dioxo-4-[4-(2-pyrimidinylamino)-3-sulfonatoanilino]-2-anthracenesulfonate IUPAC Name: disodium 1-amino-9,10-dioxo-4-[4-(pyrimidin-2-ylamino)-3-sulfonatoanilino]anthracene-2-sulfonate Traditional Name: disodium 1-amino-9,10-diketo-4-[4-(2-pyrimidylamino)-3-sulfonato-anilino]anthracene-2-sulfonate Formula: C24H15N5Na2O8S2 MolecularWeight: 611.51414

Click to see the large picture

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-])S(=O)(=O)[O-])N.[Na+].[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-])S(=O)(=O)[O-])N.[Na+].[Na+]

InChI

InChI=1S/C24H17N5O8S2.2Na/c25-21-18(39(35,36)37)11-16(19-20(21)23(31)14-5-2-1-4-13(14)22(19)30)28-12-6-7-15(17(10-12)38(32,33)34)29-24-26-8-3-9-27-24;;/h1-11,28H,25H2,(H,26,27,29)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2