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

Systemtic Name: 1-[6-(4-chloranylphenoxy)hexyl]-3-methyl-7-propyl-purine-2,6-dione Openeye Name: 1-[6-(4-chlorophenoxy)hexyl]-3-methyl-7-propyl-purine-2,6-dione CAS Name: 1-[6-(4-chlorophenoxy)hexyl]-3-methyl-7-propylpurine-2,6-dione IUPAC Name: 1-[6-(4-chlorophenoxy)hexyl]-3-methyl-7-propylpurine-2,6-dione Traditional Name: 1-[6-(4-chlorophenoxy)hexyl]-3-methyl-7-propyl-xanthine Formula: C21H27ClN4O3 MolecularWeight: 418.91708

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O3/c1-3-12-25-15-23-19-18(25)20(27)26(21(28)24(19)2)13-6-4-5-7-14-29-17-10-8-16(22)9-11-17/h8-11,15H,3-7,12-14H2,1-2H3