[7,8-dimethyl-2,4-bis(oxidanylidene)-10-[2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridin-6-yl] thiocyanate

Systemtic Name: [7,8-dimethyl-2,4-bis(oxidanylidene)-10-[2,3,4,5-tetrakis(oxidanyl)pentyl]benzo[g]pteridin-6-yl] thiocyanate Openeye Name: [7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-6-yl] thiocyanate CAS Name: thiocyanic acid [7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)-6-benzo[g]pteridinyl] ester IUPAC Name: [7,8-dimethyl-2,4-dioxo-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-6-yl] thiocyanate Traditional Name: thiocyanic acid [2,4-diketo-7,8-dimethyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridin-6-yl] ester Formula: C18H19N5O6S MolecularWeight: 433.43836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C)SC#N)N=C3C(=O)NC(=O)N=C3N2CC(C(C(CO)O)O)O

Isomeric SMILES

CC1=CC2=C(C(=C1C)SC#N)N=C3C(=O)NC(=O)N=C3N2CC(C(C(CO)O)O)O

InChI

InChI=1S/C18H19N5O6S/c1-7-3-9-12(15(8(7)2)30-6-19)20-13-16(21-18(29)22-17(13)28)23(9)4-10(25)14(27)11(26)5-24/h3,10-11,14,24-27H,4-5H2,1-2H3,(H,22,28,29)