2-azanyl-4-(3-oxidanylpropylamino)-6-phenylazanyl-3-(1,3,5-triazin-2-yl)benzenesulfonic acid

Systemtic Name: 2-azanyl-4-(3-oxidanylpropylamino)-6-phenylazanyl-3-(1,3,5-triazin-2-yl)benzenesulfonic acid Openeye Name: 2-amino-6-anilino-4-(3-hydroxypropylamino)-3-(1,3,5-triazin-2-yl)benzenesulfonic acid CAS Name: 2-amino-6-anilino-4-(3-hydroxypropylamino)-3-(1,3,5-triazin-2-yl)benzenesulfonic acid IUPAC Name: 2-amino-6-anilino-4-(3-hydroxypropylamino)-3-(1,3,5-triazin-2-yl)benzenesulfonic acid Traditional Name: 2-amino-6-anilino-4-(3-hydroxypropylamino)-3-(s-triazin-2-yl)besylic acid Formula: C18H20N6O4S MolecularWeight: 416.4542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N6O4S/c19-16-15(18-22-10-20-11-23-18)13(21-7-4-8-25)9-14(17(16)29(26,27)28)24-12-5-2-1-3-6-12/h1-3,5-6,9-11,21,24-25H,4,7-8,19H2,(H,26,27,28)