1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 5-methoxypyridine-3-carboxylate

Systemtic Name: 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 5-methoxypyridine-3-carboxylate Openeye Name: 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethyl 5-methoxypyridine-3-carboxylate CAS Name: 5-methoxy-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 5-methoxypyridine-3-carboxylate Traditional Name: 5-methoxynicotinic acid 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)ethyl ester Formula: C17H19N5O5 MolecularWeight: 373.36326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)OC(=O)C3=CC(=CN=C3)OC

Isomeric SMILES

CC(C1=NC2=C(N1C)C(=O)N(C(=O)N2C)C)OC(=O)C3=CC(=CN=C3)OC

InChI

InChI=1S/C17H19N5O5/c1-9(27-16(24)10-6-11(26-5)8-18-7-10)13-19-14-12(20(13)2)15(23)22(4)17(25)21(14)3/h6-9H,1-5H3