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

Systemtic Name: 6-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]hexan-2-yl 2-methylpropanoate Openeye Name: [5-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-1-methyl-pentyl] 2-methylpropanoate CAS Name: 2-methylpropanoic 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 2-methylpropanoate Traditional Name: 2-methylpropionic 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O4/c1-11(2)16(23)25-12(3)8-6-7-9-21-15(22)13-14(18-10-19(13)4)20(5)17(21)24/h10-12H,6-9H2,1-5H3