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

Systemtic Name: 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 5-methylpyridine-3-carboxylate Openeye Name: 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethyl 5-methylpyridine-3-carboxylate CAS Name: 5-methyl-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-methylpyridine-3-carboxylate Traditional Name: 5-methylnicotinic acid 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)ethyl ester Formula: C17H19N5O4 MolecularWeight: 357.36386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O4/c1-9-6-11(8-18-7-9)16(24)26-10(2)13-19-14-12(20(13)3)15(23)22(5)17(25)21(14)4/h6-8,10H,1-5H3