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

Systemtic Name: [6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-2-oxidanyl-hexyl] butanoate Openeye Name: [6-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-2-hydroxy-hexyl] butanoate CAS Name: butanoic acid [6-(3,7-dimethyl-2,6-dioxo-1-purinyl)-2-hydroxyhexyl] ester IUPAC Name: [6-(3,7-dimethyl-2,6-dioxopurin-1-yl)-2-hydroxyhexyl] butanoate Traditional Name: butyric acid [6-(2,6-diketo-3,7-dimethyl-purin-1-yl)-2-hydroxy-hexyl] ester Formula: C17H26N4O5 MolecularWeight: 366.41214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCC(=O)OCC(CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C17H26N4O5/c1-4-7-13(23)26-10-12(22)8-5-6-9-21-16(24)14-15(18-11-19(14)2)20(3)17(21)25/h11-12,22H,4-10H2,1-3H3