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

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl butanoate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] butanoate CAS Name: butanoic acid 6-(3,7-dimethyl-2,6-dioxo-1-purinyl)hexan-2-yl ester IUPAC Name: 6-(3,7-dimethyl-2,6-dioxopurin-1-yl)hexan-2-yl butanoate Traditional Name: butyric acid [5-(2,6-diketo-3,7-dimethyl-purin-1-yl)-1-methyl-pentyl] ester Formula: C17H26N4O4 MolecularWeight: 350.41274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4/c1-5-8-13(22)25-12(2)9-6-7-10-21-16(23)14-15(18-11-19(14)3)20(4)17(21)24/h11-12H,5-10H2,1-4H3