8-(2,5-dimethylpyrrol-1-yl)-4-oxidanylidene-3-prop-2-enyl-benzo[g]pteridin-2-olate

Systemtic Name: 8-(2,5-dimethylpyrrol-1-yl)-4-oxidanylidene-3-prop-2-enyl-benzo[g]pteridin-2-olate Openeye Name: 3-allyl-8-(2,5-dimethylpyrrol-1-yl)-4-oxo-benzo[g]pteridin-2-olate CAS Name: 8-(2,5-dimethyl-1-pyrrolyl)-4-oxo-3-prop-2-enyl-2-benzo[g]pteridinolate IUPAC Name: 8-(2,5-dimethylpyrrol-1-yl)-4-oxo-3-prop-2-enylbenzo[g]pteridin-2-olate Traditional Name: 3-allyl-8-(2,5-dimethylpyrrol-1-yl)-4-keto-benzo[g]pteridin-2-olate Formula: C19H16N5O2- MolecularWeight: 346.36264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N5O2/c1-4-9-23-18(25)16-17(22-19(23)26)21-15-10-13(7-8-14(15)20-16)24-11(2)5-6-12(24)3/h4-8,10H,1,9H2,2-3H3,(H,21,22,26)/p-1