8-(2,5-dimethylpyrrol-1-yl)-2-sulfanylidene-1H-benzo[g]pteridin-4-olate

Systemtic Name: 8-(2,5-dimethylpyrrol-1-yl)-2-sulfanylidene-1H-benzo[g]pteridin-4-olate Openeye Name: 8-(2,5-dimethylpyrrol-1-yl)-2-thioxo-1H-benzo[g]pteridin-4-olate CAS Name: 8-(2,5-dimethyl-1-pyrrolyl)-2-sulfanylidene-1H-benzo[g]pteridin-4-olate IUPAC Name: 8-(2,5-dimethylpyrrol-1-yl)-2-sulfanylidene-1H-benzo[g]pteridin-4-olate Traditional Name: 8-(2,5-dimethylpyrrol-1-yl)-2-thioxo-1H-benzo[g]pteridin-4-olate Formula: C16H12N5OS- MolecularWeight: 322.36438

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(N1C2=CC3=C(C=C2)N=C4C(=N3)NC(=S)N=C4[O-])C

Isomeric SMILES

CC1=CC=C(N1C2=CC3=C(C=C2)N=C4C(=N3)NC(=S)N=C4[O-])C

InChI

InChI=1S/C16H13N5OS/c1-8-3-4-9(2)21(8)10-5-6-11-12(7-10)18-14-13(17-11)15(22)20-16(23)19-14/h3-7H,1-2H3,(H2,18,19,20,22,23)/p-1