6-[1-[3-butyl-8-chloranyl-1-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy]hexyl 2-acetyloxybenzoate

Systemtic Name: 6-[1-[3-butyl-8-chloranyl-1-methyl-2,6-bis(oxidanylidene)purin-7-yl]ethoxy]hexyl 2-acetyloxybenzoate Openeye Name: 6-[1-(3-butyl-8-chloro-1-methyl-2,6-dioxo-purin-7-yl)ethoxy]hexyl 2-acetoxybenzoate CAS Name: 2-acetyloxybenzoic acid 6-[1-(3-butyl-8-chloro-1-methyl-2,6-dioxo-7-purinyl)ethoxy]hexyl ester IUPAC Name: 6-[1-(3-butyl-8-chloro-1-methyl-2,6-dioxopurin-7-yl)ethoxy]hexyl 2-acetyloxybenzoate Traditional Name: 2-acetoxybenzoic acid 6-[1-(3-butyl-8-chloro-2,6-diketo-1-methyl-purin-7-yl)ethoxy]hexyl ester Formula: C27H35ClN4O7 MolecularWeight: 563.0424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C(C)OCCCCCCOC(=O)C3=CC=CC=C3OC(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)C(C)OCCCCCCOC(=O)C3=CC=CC=C3OC(=O)C

InChI

InChI=1S/C27H35ClN4O7/c1-5-6-15-31-23-22(24(34)30(4)27(31)36)32(26(28)29-23)18(2)37-16-11-7-8-12-17-38-25(35)20-13-9-10-14-21(20)39-19(3)33/h9-10,13-14,18H,5-8,11-12,15-17H2,1-4H3