6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexyl 2-chloranylethanoate

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexyl 2-chloranylethanoate Openeye Name: 6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)hexyl 2-chloroacetate CAS Name: 2-chloroacetic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexyl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexyl 2-chloroacetate Traditional Name: 2-chloroacetic acid 6-(2,6-diketo-3,7-dimethyl-purin-1-yl)hexyl ester Formula: C15H21ClN4O4 MolecularWeight: 356.80464

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC(=O)CCl

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC(=O)CCl

InChI

InChI=1S/C15H21ClN4O4/c1-18-10-17-13-12(18)14(22)20(15(23)19(13)2)7-5-3-4-6-8-24-11(21)9-16/h10H,3-9H2,1-2H3