10-methyl-2,4-bis(oxidanylidene)-3-(8-sulfanyloctyl)benzo[g]pteridine-8-carbonitrile

Systemtic Name: 10-methyl-2,4-bis(oxidanylidene)-3-(8-sulfanyloctyl)benzo[g]pteridine-8-carbonitrile Openeye Name: 10-methyl-2,4-dioxo-3-(8-sulfanyloctyl)benzo[g]pteridine-8-carbonitrile CAS Name: 3-(8-mercaptooctyl)-10-methyl-2,4-dioxo-8-benzo[g]pteridinecarbonitrile IUPAC Name: 10-methyl-2,4-dioxo-3-(8-sulfanyloctyl)benzo[g]pteridine-8-carbonitrile Traditional Name: 2,4-diketo-3-(8-mercaptooctyl)-10-methyl-benzo[g]pteridine-8-carbonitrile Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2)C#N)N=C3C1=NC(=O)N(C3=O)CCCCCCCCS

Isomeric SMILES

CN1C2=C(C=CC(=C2)C#N)N=C3C1=NC(=O)N(C3=O)CCCCCCCCS

InChI

InChI=1S/C20H23N5O2S/c1-24-16-12-14(13-21)8-9-15(16)22-17-18(24)23-20(27)25(19(17)26)10-6-4-2-3-5-7-11-28/h8-9,12,28H,2-7,10-11H2,1H3