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

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 2-chloranylpyridine-3-carboxylate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 2-chloropyridine-3-carboxylate CAS Name: 2-chloro-3-pyridinecarboxylic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 2-chloropyridine-3-carboxylate Traditional Name: 2-chloronicotinic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C16H16ClN5O4 MolecularWeight: 377.78234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCOC(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C16H16ClN5O4/c1-20-9-19-13-11(20)14(23)22(16(25)21(13)2)7-4-8-26-15(24)10-5-3-6-18-12(10)17/h3,5-6,9H,4,7-8H2,1-2H3