3-[7-chloranyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propyl-bis(2-hydroxyethyl)azanium; hydrogen sulfate

Systemtic Name: 3-[7-chloranyl-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]propyl-bis(2-hydroxyethyl)azanium; hydrogen sulfate Openeye Name: 3-(7-chloro-2,4-dioxo-benzo[g]pteridin-10-yl)propyl-bis(2-hydroxyethyl)ammonium; hydrogen sulfate CAS Name: 3-(7-chloro-2,4-dioxo-10-benzo[g]pteridinyl)propyl-bis(2-hydroxyethyl)ammonium; hydrogen sulfate IUPAC Name: 3-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)propyl-bis(2-hydroxyethyl)azanium; hydrogen sulfate Traditional Name: 3-(7-chloro-2,4-diketo-benzo[g]pteridin-10-yl)propyl-bis(2-hydroxyethyl)ammonium bisulfate Formula: C17H22ClN5O8S MolecularWeight: 491.90328

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C3C(=O)NC(=O)N=C3N2CCC[NH+](CCO)CCO.OS(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C3C(=O)NC(=O)N=C3N2CCC[NH+](CCO)CCO.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H20ClN5O4.H2O4S/c18-11-2-3-13-12(10-11)19-14-15(20-17(27)21-16(14)26)23(13)5-1-4-22(6-8-24)7-9-25;1-5(2,3)4/h2-3,10,24-25H,1,4-9H2,(H,21,26,27);(H2,1,2,3,4)