3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-chloranyl-2-oxidanyl-benzoate

Systemtic Name: 3-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]propyl 4-chloranyl-2-oxidanyl-benzoate Openeye Name: 3-(3,7-dimethyl-2,6-dioxo-purin-1-yl)propyl 4-chloro-2-hydroxy-benzoate CAS Name: 4-chloro-2-hydroxybenzoic acid 3-(3,7-dimethyl-2,6-dioxo-1-purinyl)propyl ester IUPAC Name: 3-(3,7-dimethyl-2,6-dioxopurin-1-yl)propyl 4-chloro-2-hydroxybenzoate Traditional Name: 4-chloro-2-hydroxy-benzoic acid 3-(2,6-diketo-3,7-dimethyl-purin-1-yl)propyl ester Formula: C17H17ClN4O5 MolecularWeight: 392.79368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClN4O5/c1-20-9-19-14-13(20)15(24)22(17(26)21(14)2)6-3-7-27-16(25)11-5-4-10(18)8-12(11)23/h4-5,8-9,23H,3,6-7H2,1-2H3