3,7-dimethyl-1-(4-phenoxybutyl)purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-(4-phenoxybutyl)purine-2,6-dione Openeye Name: 3,7-dimethyl-1-(4-phenoxybutyl)purine-2,6-dione CAS Name: 3,7-dimethyl-1-(4-phenoxybutyl)purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-(4-phenoxybutyl)purine-2,6-dione Traditional Name: 3,7-dimethyl-1-(4-phenoxybutyl)xanthine Formula: C17H20N4O3 MolecularWeight: 328.3657

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCOC3=CC=CC=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCOC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O3/c1-19-12-18-15-14(19)16(22)21(17(23)20(15)2)10-6-7-11-24-13-8-4-3-5-9-13/h3-5,8-9,12H,6-7,10-11H2,1-2H3