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

Systemtic Name: 1-[(4-chlorophenyl)methyl]-8-(4-methoxypiperidin-1-yl)-7-methyl-3-propyl-purine-2,6-dione Openeye Name: 1-[(4-chlorophenyl)methyl]-8-(4-methoxy-1-piperidyl)-7-methyl-3-propyl-purine-2,6-dione CAS Name: 1-[(4-chlorophenyl)methyl]-8-(4-methoxy-1-piperidinyl)-7-methyl-3-propylpurine-2,6-dione IUPAC Name: 1-[(4-chlorophenyl)methyl]-8-(4-methoxypiperidin-1-yl)-7-methyl-3-propylpurine-2,6-dione Traditional Name: 1-(4-chlorobenzyl)-8-(4-methoxypiperidino)-7-methyl-3-propyl-xanthine Formula: C22H28ClN5O3 MolecularWeight: 445.94242

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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)N4CCC(CC4)OC)C

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CC3=CC=C(C=C3)Cl)N(C(=N2)N4CCC(CC4)OC)C

InChI

InChI=1S/C22H28ClN5O3/c1-4-11-27-19-18(25(2)21(24-19)26-12-9-17(31-3)10-13-26)20(29)28(22(27)30)14-15-5-7-16(23)8-6-15/h5-8,17H,4,9-14H2,1-3H3