1-azanyl-4-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid

Systemtic Name: 1-azanyl-4-[[3-[(4-azanyl-6-methyl-1,3,5-triazin-2-yl)amino]-4-sulfo-phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid Openeye Name: 1-amino-4-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-4-sulfo-anilino]-9,10-dioxo-anthracene-2-sulfonic acid CAS Name: 1-amino-4-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxo-2-anthracenesulfonic acid IUPAC Name: 1-amino-4-[3-[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]-4-sulfoanilino]-9,10-dioxoanthracene-2-sulfonic acid Traditional Name: 1-amino-4-[3-[(4-amino-6-methyl-s-triazin-2-yl)amino]-4-sulfo-anilino]-9,10-diketo-anthracene-2-sulfonic acid Formula: C24H19N7O8S2 MolecularWeight: 597.57976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=N1)NC2=C(C=CC(=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

CC1=NC(=NC(=N1)NC2=C(C=CC(=C2)NC3=CC(=C(C4=C3C(=O)C5=CC=CC=C5C4=O)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C24H19N7O8S2/c1-10-27-23(26)31-24(28-10)30-14-8-11(6-7-16(14)40(34,35)36)29-15-9-17(41(37,38)39)20(25)19-18(15)21(32)12-4-2-3-5-13(12)22(19)33/h2-9,29H,25H2,1H3,(H,34,35,36)(H,37,38,39)(H3,26,27,28,30,31)