3-butyl-7-(2-methoxyethyl)-8-propan-2-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-(2-methoxyethyl)-8-propan-2-yl-purine-2,6-dione Openeye Name: 3-butyl-8-isopropyl-7-(2-methoxyethyl)purine-2,6-dione CAS Name: 3-butyl-7-(2-methoxyethyl)-8-propan-2-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-(2-methoxyethyl)-8-propan-2-ylpurine-2,6-dione Traditional Name: 3-butyl-8-isopropyl-7-(2-methoxyethyl)xanthine Formula: C15H24N4O3 MolecularWeight: 308.37606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C(C)C)CCOC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C(C)C)CCOC

InChI

InChI=1S/C15H24N4O3/c1-5-6-7-19-13-11(14(20)17-15(19)21)18(8-9-22-4)12(16-13)10(2)3/h10H,5-9H2,1-4H3,(H,17,20,21)