DTXSID0027777

disodium;5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate

CAS: 16090-02-1

Molecular Formula	`C40H38N12Na2O8S2`
Molecular Weight	924.9 g/mol
Topological Polar Surface Area	282.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	20
Rotatable Bonds	12
Exact Mass	924.2172
Heavy Atoms	64
Complexity	1490.0

Chemical Identifiers

CAS Number	16090-02-1
SMILES	`C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N7CCOCC7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+]`
InChIKey	`VUJGKADZTYCLIL-UHFFFAOYSA-L`

📖 Product Overview

DTXSID0027777 (CAS: 16090-02-1) is a chemical compound with molecular formula C40H38N12Na2O8S2 and molecular weight 924.9 g/mol. Its IUPAC systematic name is disodium;5-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-[2-[4-[(4-anilino-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-sulfonatophenyl]ethenyl]benzenesulfonate. Topological Polar Surface Area 282.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 20 Rotatable Bonds 12 Exact Mass 924.2172 Heavy Atoms 64 Complexity 1490.0 InChI Key: VUJGKADZTYCLIL-UHFFFAOYSA-L. SMILES: C1COCCN1C2=NC(=NC(=N2)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC5=NC(=NC(=N5)NC6=CC=CC=C6)N7CCOCC7)S(=O)(=O)[O-])S(=O)(=O)[O-])NC8=CC=CC=C8.[Na+].[Na+].

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