sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 7-[[4-[[4-[(2E)-2-[2-(cyanoamino)-4,6-bis(oxidanylidene)-1H-pyrimidin-5-ylidene]hydrazinyl]phenyl]carbonylamino]-3-methoxy-phenyl]diazenyl]naphthalene-1,3-disulfonate

Systemtic Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 7-[[4-[[4-[(2E)-2-[2-(cyanoamino)-4,6-bis(oxidanylidene)-1H-pyrimidin-5-ylidene]hydrazinyl]phenyl]carbonylamino]-3-methoxy-phenyl]diazenyl]naphthalene-1,3-disulfonate Openeye Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 7-[4-[[4-[(2E)-2-[2-(cyanoamino)-4,6-dioxo-1H-pyrimidin-5-ylidene]hydrazino]benzoyl]amino]-3-methoxy-phenyl]azonaphthalene-1,3-disulfonate CAS Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 7-[4-[[[4-[(2E)-2-[2-(cyanoamino)-4,6-dioxo-1H-pyrimidin-5-ylidene]hydrazinyl]phenyl]-oxomethyl]amino]-3-methoxyphenyl]azonaphthalene-1,3-disulfonate IUPAC Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 7-[[4-[[4-[(2E)-2-[2-(cyanoamino)-4,6-dioxo-1H-pyrimidin-5-ylidene]hydrazinyl]benzoyl]amino]-3-methoxyphenyl]diazenyl]naphthalene-1,3-disulfonate Traditional Name: sodium; 2-[bis(2-hydroxyethyl)amino]ethanol; 7-[4-[[4-[(N'E)-N'-[2-(cyanoamino)-4,6-diketo-1H-pyrimidin-5-ylidene]hydrazino]benzoyl]amino]-3-methoxy-phenyl]azonaphthalene-1,3-disulfonate Formula: C35H34N10NaO13S2- MolecularWeight: 889.82343

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC=C(C=C4)NN=C5C(=O)NC(=NC5=O)NC#N.C(CO)N(CCO)CCO.[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])NC(=O)C4=CC=C(C=C4)N/N=C/5\C(=O)NC(=NC5=O)NC#N.C(CO)N(CCO)CCO.[Na+]

InChI

InChI=1S/C29H21N9O10S2.C6H15NO3.Na/c1-48-23-12-19(37-36-18-7-4-16-10-20(49(42,43)44)13-24(21(16)11-18)50(45,46)47)8-9-22(23)32-26(39)15-2-5-17(6-3-15)35-38-25-27(40)33-29(31-14-30)34-28(25)41;8-4-1-7(2-5-9)3-6-10;/h2-13,35H,1H3,(H,32,39)(H,42,43,44)(H,45,46,47)(H2,31,33,34,40,41);8-10H,1-6H2;/q;;+1/p-2