7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Openeye Name: 3-isobutyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione Traditional Name: 3-isobutyl-7-(2-methoxyethyl)xanthine Formula: C12H18N4O3 MolecularWeight: 266.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)CCOC

Isomeric SMILES

CC(C)CN1C2=C(C(=O)NC1=O)N(C=N2)CCOC

InChI

InChI=1S/C12H18N4O3/c1-8(2)6-16-10-9(11(17)14-12(16)18)15(7-13-10)4-5-19-3/h7-8H,4-6H2,1-3H3,(H,14,17,18)