tetrasodium 6-[(2Z)-2-[6-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]naphthalene-1,3,5-trisulfonate

Systemtic Name: tetrasodium 6-[(2Z)-2-[6-[(5-chloranyl-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]naphthalene-1,3,5-trisulfonate Openeye Name: tetrasodium 6-[(2Z)-2-[6-[(5-chloro-6-methyl-2-methylsulfonyl-pyrimidin-4-yl)amino]-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]naphthalene-1,3,5-trisulfonate CAS Name: tetrasodium 6-[(2Z)-2-[6-[(5-chloro-6-methyl-2-methylsulfonyl-4-pyrimidinyl)amino]-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]naphthalene-1,3,5-trisulfonate IUPAC Name: tetrasodium 6-[(2Z)-2-[6-[(5-chloro-6-methyl-2-methylsulfonylpyrimidin-4-yl)amino]-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]naphthalene-1,3,5-trisulfonate Traditional Name: tetrasodium 6-[(N'Z)-N'-[6-[(5-chloro-2-mesyl-6-methyl-pyrimidin-4-yl)amino]-1-keto-3-sulfonato-2-naphthylidene]hydrazino]naphthalene-1,3,5-trisulfonate Formula: C26H16ClN5Na4O15S5 MolecularWeight: 926.16682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC3=C(C=C2)C(=O)C(=NNC4=C(C5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=NC(=N1)S(=O)(=O)C)NC2=CC3=C(C=C2)C(=O)/C(=N/NC4=C(C5=CC(=CC(=C5C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C3)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C26H20ClN5O15S5.4Na/c1-11-21(27)25(30-26(28-11)48(2,34)35)29-13-3-4-15-12(7-13)8-20(51(42,43)44)22(23(15)33)32-31-18-6-5-16-17(24(18)52(45,46)47)9-14(49(36,37)38)10-19(16)50(39,40)41;;;;/h3-10,31H,1-2H3,(H,28,29,30)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4/b32-22+;;;;