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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl pyridine-2-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl pyridine-2-carboxylate Traditional Name: picolinic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C16H17N5O4 MolecularWeight: 343.33728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=N3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=CC=CC=N3

InChI

InChI=1S/C16H17N5O4/c1-19-10-18-13-12(19)14(22)21(16(24)20(13)2)8-5-9-25-15(23)11-6-3-4-7-17-11/h3-4,6-7,10H,5,8-9H2,1-2H3