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

Systemtic Name: 1-[1,3,7-trimethyl-2,6-bis(oxidanylidene)purin-8-yl]ethyl 4-chloranyl-2-methoxy-6-methyl-pyridine-3-carboxylate Openeye Name: 1-(1,3,7-trimethyl-2,6-dioxo-purin-8-yl)ethyl 4-chloro-2-methoxy-6-methyl-pyridine-3-carboxylate CAS Name: 4-chloro-2-methoxy-6-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 4-chloro-2-methoxy-6-methylpyridine-3-carboxylate Traditional Name: 4-chloro-2-methoxy-6-methyl-nicotinic acid 1-(2,6-diketo-1,3,7-trimethyl-purin-8-yl)ethyl ester Formula: C18H20ClN5O5 MolecularWeight: 421.8349

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN5O5/c1-8-7-10(19)11(15(20-8)28-6)17(26)29-9(2)13-21-14-12(22(13)3)16(25)24(5)18(27)23(14)4/h7,9H,1-6H3