[1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl hexanoate

Systemtic Name: [1-methyl-3-(2-methylpropyl)-2,6-bis(oxidanylidene)purin-7-yl]methyl hexanoate Openeye Name: (3-isobutyl-1-methyl-2,6-dioxo-purin-7-yl)methyl hexanoate CAS Name: hexanoic acid [1-methyl-3-(2-methylpropyl)-2,6-dioxo-7-purinyl]methyl ester IUPAC Name: [1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]methyl hexanoate Traditional Name: hexanoic acid (3-isobutyl-2,6-diketo-1-methyl-purin-7-yl)methyl ester Formula: C17H26N4O4 MolecularWeight: 350.41274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C

Isomeric SMILES

CCCCCC(=O)OCN1C=NC2=C1C(=O)N(C(=O)N2CC(C)C)C

InChI

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