8-(2-methoxy-3-methyl-butyl)-3,7-dihydropurine-2,6-dione

Systemtic Name: 8-(2-methoxy-3-methyl-butyl)-3,7-dihydropurine-2,6-dione Openeye Name: 8-(2-methoxy-3-methyl-butyl)-3,7-dihydropurine-2,6-dione CAS Name: 8-(2-methoxy-3-methylbutyl)-3,7-dihydropurine-2,6-dione IUPAC Name: 8-(2-methoxy-3-methylbutyl)-3,7-dihydropurine-2,6-dione Traditional Name: 8-(2-methoxy-3-methyl-butyl)-7H-xanthine Formula: C11H16N4O3 MolecularWeight: 252.26974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=NC2=C(N1)C(=O)NC(=O)N2)OC

Isomeric SMILES

CC(C)C(CC1=NC2=C(N1)C(=O)NC(=O)N2)OC

InChI

InChI=1S/C11H16N4O3/c1-5(2)6(18-3)4-7-12-8-9(13-7)14-11(17)15-10(8)16/h5-6H,4H2,1-3H3,(H3,12,13,14,15,16,17)