8-(azetidin-1-yl)-1-[(4-chlorophenyl)methyl]-7-methyl-3-propyl-purine-2,6-dione

Systemtic Name: 8-(azetidin-1-yl)-1-[(4-chlorophenyl)methyl]-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 8-(azetidin-1-yl)-1-[(4-chlorophenyl)methyl]-7-methyl-3-propyl-purine-2,6-dione CAS Name: 8-(1-azetidinyl)-1-[(4-chlorophenyl)methyl]-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 8-(azetidin-1-yl)-1-[(4-chlorophenyl)methyl]-7-methyl-3-propylpurine-2,6-dione Traditional Name: 8-(azetidin-1-yl)-1-(4-chlorobenzyl)-7-methyl-3-propyl-xanthine Formula: C19H22ClN5O2 MolecularWeight: 387.86328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)N4CCC4)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)N4CCC4)C

InChI

InChI=1S/C19H22ClN5O2/c1-3-9-24-16-15(22(2)18(21-16)23-10-4-11-23)17(26)25(19(24)27)12-13-5-7-14(20)8-6-13/h5-8H,3-4,9-12H2,1-2H3