[[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] pyridine-2-carboxylate

Systemtic Name: [[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-phenyl-methyl] pyridine-2-carboxylate Openeye Name: [(1,3-dimethyl-2,6-dioxo-purin-7-yl)-phenyl-methyl] pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid [(1,3-dimethyl-2,6-dioxo-7-purinyl)-phenylmethyl] ester IUPAC Name: [(1,3-dimethyl-2,6-dioxopurin-7-yl)-phenylmethyl] pyridine-2-carboxylate Traditional Name: picolinic acid [(2,6-diketo-1,3-dimethyl-purin-7-yl)-phenyl-methyl] ester Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=N4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C3=CC=CC=C3)OC(=O)C4=CC=CC=N4

InChI

InChI=1S/C20H17N5O4/c1-23-16-15(17(26)24(2)20(23)28)25(12-22-16)18(13-8-4-3-5-9-13)29-19(27)14-10-6-7-11-21-14/h3-12,18H,1-2H3