[3-[7,8-bis(chloranyl)-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2-oxidanyl-propyl]-diethyl-azanium; hydrogen sulfate

Systemtic Name: [3-[7,8-bis(chloranyl)-2,4-bis(oxidanylidene)benzo[g]pteridin-10-yl]-2-oxidanyl-propyl]-diethyl-azanium; hydrogen sulfate Openeye Name: [3-(7,8-dichloro-2,4-dioxo-benzo[g]pteridin-10-yl)-2-hydroxy-propyl]-diethyl-ammonium; hydrogen sulfate CAS Name: [3-(7,8-dichloro-2,4-dioxo-10-benzo[g]pteridinyl)-2-hydroxypropyl]-diethylammonium; hydrogen sulfate IUPAC Name: [3-(7,8-dichloro-2,4-dioxobenzo[g]pteridin-10-yl)-2-hydroxypropyl]-diethylazanium; hydrogen sulfate Traditional Name: [3-(7,8-dichloro-2,4-diketo-benzo[g]pteridin-10-yl)-2-hydroxy-propyl]-diethyl-ammonium bisulfate Formula: C17H21Cl2N5O7S MolecularWeight: 510.34894

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(CN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl)O.OS(=O)(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CC(CN1C2=CC(=C(C=C2N=C3C1=NC(=O)NC3=O)Cl)Cl)O.OS(=O)(=O)[O-]

InChI

InChI=1S/C17H19Cl2N5O3.H2O4S/c1-3-23(4-2)7-9(25)8-24-13-6-11(19)10(18)5-12(13)20-14-15(24)21-17(27)22-16(14)26;1-5(2,3)4/h5-6,9,25H,3-4,7-8H2,1-2H3,(H,22,26,27);(H2,1,2,3,4)