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

Systemtic Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Openeye Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(1-piperidylmethyl)purine-2,6-dione CAS Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(1-piperidinylmethyl)purine-2,6-dione IUPAC Name: 7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-8-(piperidin-1-ylmethyl)purine-2,6-dione Traditional Name: 7-(2,4-dichlorobenzyl)-1,3-dimethyl-8-(piperidinomethyl)xanthine Formula: C20H23Cl2N5O2 MolecularWeight: 436.33492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23Cl2N5O2/c1-24-18-17(19(28)25(2)20(24)29)27(11-13-6-7-14(21)10-15(13)22)16(23-18)12-26-8-4-3-5-9-26/h6-7,10H,3-5,8-9,11-12H2,1-2H3