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

Systemtic Name: O-ethyl 3-[8-cyano-10-methyl-2,4-bis(oxidanylidene)benzo[g]pteridin-3-yl]propylsulfanylmethanethioate Openeye Name: O-ethyl 3-(8-cyano-10-methyl-2,4-dioxo-benzo[g]pteridin-3-yl)propylsulfanylmethanethioate CAS Name: [3-(8-cyano-10-methyl-2,4-dioxo-3-benzo[g]pteridinyl)propylthio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl 3-(8-cyano-10-methyl-2,4-dioxobenzo[g]pteridin-3-yl)propylsulfanylmethanethioate Traditional Name: [3-(8-cyano-2,4-diketo-10-methyl-benzo[g]pteridin-3-yl)propylthio]methanethioic acid O-ethyl ester Formula: C18H17N5O3S2 MolecularWeight: 415.48928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SCCCN1C(=O)C2=NC3=C(C=C(C=C3)C#N)N(C2=NC1=O)C

Isomeric SMILES

CCOC(=S)SCCCN1C(=O)C2=NC3=C(C=C(C=C3)C#N)N(C2=NC1=O)C

InChI

InChI=1S/C18H17N5O3S2/c1-3-26-18(27)28-8-4-7-23-16(24)14-15(21-17(23)25)22(2)13-9-11(10-19)5-6-12(13)20-14/h5-6,9H,3-4,7-8H2,1-2H3