7-(2-methoxyethyl)-8-phenyl-3-propyl-purine-2,6-dione

Systemtic Name: 7-(2-methoxyethyl)-8-phenyl-3-propyl-purine-2,6-dione Openeye Name: 7-(2-methoxyethyl)-8-phenyl-3-propyl-purine-2,6-dione CAS Name: 7-(2-methoxyethyl)-8-phenyl-3-propylpurine-2,6-dione IUPAC Name: 7-(2-methoxyethyl)-8-phenyl-3-propylpurine-2,6-dione Traditional Name: 7-(2-methoxyethyl)-8-phenyl-3-propyl-xanthine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3)CCOC

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=C3)CCOC

InChI

InChI=1S/C17H20N4O3/c1-3-9-21-15-13(16(22)19-17(21)23)20(10-11-24-2)14(18-15)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H,19,22,23)