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

Systemtic Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 1-[(2,4-dichlorophenyl)methyl]-3,7-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 1-(2,4-dichlorobenzyl)-3,7-dimethyl-8-pyrrolidino-xanthine Formula: C18H19Cl2N5O2 MolecularWeight: 408.28176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C

Isomeric SMILES

CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=C(C=C(C=C4)Cl)Cl)C

InChI

InChI=1S/C18H19Cl2N5O2/c1-22-14-15(21-17(22)24-7-3-4-8-24)23(2)18(27)25(16(14)26)10-11-5-6-12(19)9-13(11)20/h5-6,9H,3-4,7-8,10H2,1-2H3