7-(2-ethoxyethyl)-1-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-ethoxyethyl)-1-methyl-3-propyl-purine-2,6-dione Openeye Name: 7-(2-ethoxyethyl)-1-methyl-3-propyl-purine-2,6-dione CAS Name: 7-(2-ethoxyethyl)-1-methyl-3-propylpurine-2,6-dione IUPAC Name: 7-(2-ethoxyethyl)-1-methyl-3-propylpurine-2,6-dione Traditional Name: 7-(2-ethoxyethyl)-1-methyl-3-propyl-xanthine Formula: C13H20N4O3 MolecularWeight: 280.3229

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOCC

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOCC

InChI

InChI=1S/C13H20N4O3/c1-4-6-17-11-10(12(18)15(3)13(17)19)16(9-14-11)7-8-20-5-2/h9H,4-8H2,1-3H3