O-ethyl 6-[8-cyano-10-methyl-2,4-bis(oxidanylidene)benzo[g]pteridin-3-yl]hexylsulfanylmethanethioate

Systemtic Name: O-ethyl 6-[8-cyano-10-methyl-2,4-bis(oxidanylidene)benzo[g]pteridin-3-yl]hexylsulfanylmethanethioate Openeye Name: O-ethyl 6-(8-cyano-10-methyl-2,4-dioxo-benzo[g]pteridin-3-yl)hexylsulfanylmethanethioate CAS Name: [6-(8-cyano-10-methyl-2,4-dioxo-3-benzo[g]pteridinyl)hexylthio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl 6-(8-cyano-10-methyl-2,4-dioxobenzo[g]pteridin-3-yl)hexylsulfanylmethanethioate Traditional Name: [6-(8-cyano-2,4-diketo-10-methyl-benzo[g]pteridin-3-yl)hexylthio]methanethioic acid O-ethyl ester Formula: C21H23N5O3S2 MolecularWeight: 457.56902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCCCCCCN1C(=O)C2=NC3=C(C=C(C=C3)C#N)N(C2=NC1=O)C

Isomeric SMILES

CCOC(=S)SCCCCCCN1C(=O)C2=NC3=C(C=C(C=C3)C#N)N(C2=NC1=O)C

InChI

InChI=1S/C21H23N5O3S2/c1-3-29-21(30)31-11-7-5-4-6-10-26-19(27)17-18(24-20(26)28)25(2)16-12-14(13-22)8-9-15(16)23-17/h8-9,12H,3-7,10-11H2,1-2H3