2-azanyl-4-[bis(2-hydroxyethyl)amino]-6-phenylazanyl-3-(1,3,5-triazin-2-yl)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[bis(2-hydroxyethyl)amino]-6-phenylazanyl-3-(1,3,5-triazin-2-yl)benzenesulfonic acid Openeye Name: 2-amino-6-anilino-4-[bis(2-hydroxyethyl)amino]-3-(1,3,5-triazin-2-yl)benzenesulfonic acid CAS Name: 2-amino-6-anilino-4-[bis(2-hydroxyethyl)amino]-3-(1,3,5-triazin-2-yl)benzenesulfonic acid IUPAC Name: 2-amino-6-anilino-4-[bis(2-hydroxyethyl)amino]-3-(1,3,5-triazin-2-yl)benzenesulfonic acid Traditional Name: 2-amino-6-anilino-4-[bis(2-hydroxyethyl)amino]-3-(s-triazin-2-yl)besylic acid Formula: C19H22N6O5S MolecularWeight: 446.48018

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=C(C(=C2)N(CCO)CCO)C3=NC=NC=N3)N)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=C(C(=C2)N(CCO)CCO)C3=NC=NC=N3)N)S(=O)(=O)O

InChI

InChI=1S/C19H22N6O5S/c20-17-16(19-22-11-21-12-23-19)15(25(6-8-26)7-9-27)10-14(18(17)31(28,29)30)24-13-4-2-1-3-5-13/h1-5,10-12,24,26-27H,6-9,20H2,(H,28,29,30)