2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-chloranylpyridine-4-carboxylate

Systemtic Name: 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]ethyl 2-chloranylpyridine-4-carboxylate Openeye Name: 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)ethyl 2-chloropyridine-4-carboxylate CAS Name: 2-chloro-4-pyridinecarboxylic acid 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)ethyl ester IUPAC Name: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl 2-chloropyridine-4-carboxylate Traditional Name: 2-chloroisonicotinic acid 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)ethyl ester Formula: C15H14ClN5O4 MolecularWeight: 363.75576

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=NC=C3)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CC(=NC=C3)Cl

InChI

InChI=1S/C15H14ClN5O4/c1-19-12-11(13(22)20(2)15(19)24)21(8-18-12)5-6-25-14(23)9-3-4-17-10(16)7-9/h3-4,7-8H,5-6H2,1-2H3