1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 4-methoxy-2,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 4-methoxy-2,6-dimethyl-pyridine-3-carboxylate Openeye Name: 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethyl 4-methoxy-2,6-dimethyl-pyridine-3-carboxylate CAS Name: 4-methoxy-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 4-methoxy-2,6-dimethylpyridine-3-carboxylate Traditional Name: 4-methoxy-2,6-dimethyl-nicotinic acid 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)ethyl ester Formula: C19H23N5O5 MolecularWeight: 401.41642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O5/c1-9-8-12(28-7)13(10(2)20-9)18(26)29-11(3)15-21-16-14(22(15)4)17(25)24(6)19(27)23(16)5/h8,11H,1-7H3