1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 2,6-dimethylpyridine-3-carboxylate

Systemtic Name: 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 2,6-dimethylpyridine-3-carboxylate Openeye Name: 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethyl 2,6-dimethylpyridine-3-carboxylate CAS Name: 2,6-dimethyl-3-pyridinecarboxylic acid 1-(1,3,7-trimethyl-2,6-dioxo-8-purinyl)ethyl ester IUPAC Name: 1-(1,3,7-trimethyl-2,6-dioxopurin-8-yl)ethyl 2,6-dimethylpyridine-3-carboxylate Traditional Name: 2,6-dimethylnicotinic acid 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)ethyl ester Formula: C18H21N5O4 MolecularWeight: 371.39044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)OC(C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)OC(C)C2=NC3=C(N2C)C(=O)N(C(=O)N3C)C)C

InChI

InChI=1S/C18H21N5O4/c1-9-7-8-12(10(2)19-9)17(25)27-11(3)14-20-15-13(21(14)4)16(24)23(6)18(26)22(15)5/h7-8,11H,1-6H3