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

Systemtic Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]ethyl pyridine-2-carboxylate Openeye Name: 1-(3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)ethyl pyridine-2-carboxylate CAS Name: 2-pyridinecarboxylic acid 1-[1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]ethyl ester IUPAC Name: 1-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]ethyl pyridine-2-carboxylate Traditional Name: picolinic acid 1-(3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)ethyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C)OC(=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)C(C)OC(=O)C3=CC=CC=N3

InChI

InChI=1S/C18H21N5O4/c1-11(2)9-22-15-14(16(24)21(4)18(22)26)23(10-20-15)12(3)27-17(25)13-7-5-6-8-19-13/h5-8,10-12H,9H2,1-4H3