(6E)-4-[[4-(2-azanylethylamino)-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-[(1-sulfonaphthalen-2-yl)hydrazinylidene]-7-[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-[[4-(2-azanylethylamino)-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-oxidanylidene-6-[(1-sulfonaphthalen-2-yl)hydrazinylidene]-7-[tris(oxidanyl)-$l^{4}-sulfanyl]naphthalene-2-sulfonic acid Openeye Name: (6E)-4-[[4-(2-aminoethylamino)-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(1-sulfo-2-naphthyl)hydrazono]-7-(trihydroxy-$l^{4}-sulfanyl)naphthalene-2-sulfonic acid CAS Name: (6E)-4-[[4-(2-aminoethylamino)-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(1-sulfo-2-naphthalenyl)hydrazinylidene]-7-(trihydroxy-$l^{4}-sulfanyl)-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-[[4-(2-aminoethylamino)-6-(butylamino)-1,3,5-triazin-2-yl]amino]-5-oxo-6-[(1-sulfonaphthalen-2-yl)hydrazinylidene]-7-(trihydroxy-$l^{4}-sulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6E)-4-[[4-(2-aminoethylamino)-6-(butylamino)-s-triazin-2-yl]amino]-5-keto-6-[(1-sulfo-2-naphthyl)hydrazono]-7-trihydroxysulfuranyl-naphthalene-2-sulfonic acid Formula: C29H33N9O10S3 MolecularWeight: 763.82162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C(=NNC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)O)C3=O)S(O)(O)O)NCCN

Isomeric SMILES

CCCCNC1=NC(=NC(=N1)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(/C(=N/NC4=C(C5=CC=CC=C5C=C4)S(=O)(=O)O)/C3=O)S(O)(O)O)NCCN

InChI

InChI=1S/C29H33N9O10S3/c1-2-3-11-31-27-34-28(32-12-10-30)36-29(35-27)33-21-15-18(49(40,41)42)13-17-14-22(50(43,44)45)24(25(39)23(17)21)38-37-20-9-8-16-6-4-5-7-19(16)26(20)51(46,47)48/h4-9,13-15,37,43-45H,2-3,10-12,30H2,1H3,(H,40,41,42)(H,46,47,48)(H3,31,32,33,34,35,36)/b38-24-