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

Systemtic Name: [3-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-2-oxidanyl-propyl] 2,4-bis(chloranyl)benzoate Openeye Name: [3-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-2-hydroxy-propyl] 2,4-dichlorobenzoate CAS Name: 2,4-dichlorobenzoic acid [3-(1,3-dimethyl-2,6-dioxo-7-purinyl)-2-hydroxypropyl] ester IUPAC Name: [3-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-hydroxypropyl] 2,4-dichlorobenzoate Traditional Name: 2,4-dichlorobenzoic acid [3-(2,6-diketo-1,3-dimethyl-purin-7-yl)-2-hydroxy-propyl] ester Formula: C17H16Cl2N4O5 MolecularWeight: 427.23874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16Cl2N4O5/c1-21-14-13(15(25)22(2)17(21)27)23(8-20-14)6-10(24)7-28-16(26)11-4-3-9(18)5-12(11)19/h3-5,8,10,24H,6-7H2,1-2H3