1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-7-propyl-purine-2,6-dione

Systemtic Name: 1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[6-(4-methoxyphenoxy)hexyl]-3-methyl-7-propyl-xanthine Formula: C22H30N4O4 MolecularWeight: 414.498

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC3=CC=C(C=C3)OC

Isomeric SMILES

CCCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCCCOC3=CC=C(C=C3)OC

InChI

InChI=1S/C22H30N4O4/c1-4-13-25-16-23-20-19(25)21(27)26(22(28)24(20)2)14-7-5-6-8-15-30-18-11-9-17(29-3)10-12-18/h9-12,16H,4-8,13-15H2,1-3H3