7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione

Systemtic Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 7-[(4-chlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 7-(4-chlorobenzyl)-1,3-dimethyl-8-(piperidinomethyl)xanthine Formula: C20H24ClN5O2 MolecularWeight: 401.88986

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN3CCCCC3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H24ClN5O2/c1-23-18-17(19(27)24(2)20(23)28)26(12-14-6-8-15(21)9-7-14)16(22-18)13-25-10-4-3-5-11-25/h6-9H,3-5,10-13H2,1-2H3