6-azanylidene-5-[2-[4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-1-sulfonic acid

Systemtic Name: 6-azanylidene-5-[2-[4-[[5-chloranyl-2,6-bis(fluoranyl)pyrimidin-4-yl]amino]-2-sulfo-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-1-sulfonic acid Openeye Name: 5-[2-[4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-sulfo-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-1-sulfonic acid CAS Name: 5-[[4-[(5-chloro-2,6-difluoro-4-pyrimidinyl)amino]-2-sulfophenyl]hydrazo]-6-imino-4-oxo-1-naphthalenesulfonic acid IUPAC Name: 5-[2-[4-[(5-chloro-2,6-difluoropyrimidin-4-yl)amino]-2-sulfophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-1-sulfonic acid Traditional Name: 5-[N'-[4-[(5-chloro-2,6-difluoro-pyrimidin-4-yl)amino]-2-sulfo-phenyl]hydrazino]-6-imino-4-keto-naphthalene-1-sulfonic acid Formula: C20H13ClF2N6O7S2 MolecularWeight: 586.933026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)S(=O)(=O)O)NNC3=C4C(=C(C=CC4=O)S(=O)(=O)O)C=CC3=N

Isomeric SMILES

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)F)F)Cl)S(=O)(=O)O)NNC3=C4C(=C(C=CC4=O)S(=O)(=O)O)C=CC3=N

InChI

InChI=1S/C20H13ClF2N6O7S2/c21-16-18(22)26-20(23)27-19(16)25-8-1-4-11(14(7-8)38(34,35)36)28-29-17-10(24)3-2-9-13(37(31,32)33)6-5-12(30)15(9)17/h1-7,24,28-29H,(H,25,26,27)(H,31,32,33)(H,34,35,36)