sodium 2-[4-[[2-(cyanoamino)-4,6-bis(oxidanylidene)-1H-pyrimidin-5-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate

Systemtic Name: sodium 2-[4-[[2-(cyanoamino)-4,6-bis(oxidanylidene)-1H-pyrimidin-5-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Openeye Name: sodium 2-[4-[[2-(cyanoamino)-4,6-dioxo-1H-pyrimidin-5-yl]azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate CAS Name: sodium 2-[4-[[2-(cyanoamino)-4,6-dioxo-1H-pyrimidin-5-yl]azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: sodium 2-[4-[[2-(cyanoamino)-4,6-dioxo-1H-pyrimidin-5-yl]diazenyl]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: sodium 2-[4-[[2-(cyanoamino)-4,6-diketo-1H-pyrimidin-5-yl]azo]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C19H12N7NaO5S2 MolecularWeight: 505.46225

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=O)NC(=NC4=O)NC#N)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N=NC4C(=O)NC(=NC4=O)NC#N)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C19H13N7O5S2.Na/c1-9-2-7-12-14(15(9)33(29,30)31)32-18(22-12)10-3-5-11(6-4-10)25-26-13-16(27)23-19(21-8-20)24-17(13)28;/h2-7,13H,1H3,(H,29,30,31)(H2,21,23,24,27,28);/q;+1/p-1