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

Systemtic Name: 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 4-chloranyl-2,6-dimethyl-pyridine-3-carboxylate Openeye Name: 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethyl 4-chloro-2,6-dimethyl-pyridine-3-carboxylate CAS Name: 4-chloro-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-chloro-2,6-dimethylpyridine-3-carboxylate Traditional Name: 4-chloro-2,6-dimethyl-nicotinic acid 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)ethyl ester Formula: C18H20ClN5O4 MolecularWeight: 405.8355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O4/c1-8-7-11(19)12(9(2)20-8)17(26)28-10(3)14-21-15-13(22(14)4)16(25)24(6)18(27)23(15)5/h7,10H,1-6H3