4-oxidanylidene-3-(phenylmethyl)-8-(propanoylamino)benzo[g]pteridin-2-olate

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-8-(propanoylamino)benzo[g]pteridin-2-olate Openeye Name: 3-benzyl-4-oxo-8-(propanoylamino)benzo[g]pteridin-2-olate CAS Name: 4-oxo-8-(1-oxopropylamino)-3-(phenylmethyl)-2-benzo[g]pteridinolate IUPAC Name: 3-benzyl-4-oxo-8-(propanoylamino)benzo[g]pteridin-2-olate Traditional Name: 3-benzyl-4-keto-8-propionamido-benzo[g]pteridin-2-olate Formula: C20H16N5O3- MolecularWeight: 374.37274

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC2=C(C=C1)N=C3C(=N2)N=C(N(C3=O)CC4=CC=CC=C4)[O-]

Isomeric SMILES

CCC(=O)NC1=CC2=C(C=C1)N=C3C(=N2)N=C(N(C3=O)CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H17N5O3/c1-2-16(26)21-13-8-9-14-15(10-13)23-18-17(22-14)19(27)25(20(28)24-18)11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3,(H,21,26)(H,23,24,28)/p-1