(3Z)-5-[(5-chloranyl-2-fluoranyl-6-methyl-pyrimidin-4-yl)amino]-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid

Systemtic Name: (3Z)-5-[(5-chloranyl-2-fluoranyl-6-methyl-pyrimidin-4-yl)amino]-4-oxidanylidene-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Openeye Name: (3Z)-5-[(5-chloro-2-fluoro-6-methyl-pyrimidin-4-yl)amino]-4-oxo-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid CAS Name: (3Z)-5-[(5-chloro-2-fluoro-6-methyl-4-pyrimidinyl)amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid IUPAC Name: (3Z)-5-[(5-chloro-2-fluoro-6-methylpyrimidin-4-yl)amino]-4-oxo-3-[(2-sulfophenyl)hydrazinylidene]naphthalene-2,7-disulfonic acid Traditional Name: (3Z)-5-[(5-chloro-2-fluoro-6-methyl-pyrimidin-4-yl)amino]-4-keto-3-[(2-sulfophenyl)hydrazono]naphthalene-2,7-disulfonic acid Formula: C21H15ClFN5O10S3 MolecularWeight: 648.017703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)F)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=NNC4=CC=CC=C4S(=O)(=O)O)C3=O)S(=O)(=O)O)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)F)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(/C(=N\NC4=CC=CC=C4S(=O)(=O)O)/C3=O)S(=O)(=O)O)Cl

InChI

InChI=1S/C21H15ClFN5O10S3/c1-9-17(22)20(26-21(23)24-9)25-13-8-11(39(30,31)32)6-10-7-15(41(36,37)38)18(19(29)16(10)13)28-27-12-4-2-3-5-14(12)40(33,34)35/h2-8,27H,1H3,(H,24,25,26)(H,30,31,32)(H,33,34,35)(H,36,37,38)/b28-18+