8-[(3,4-dichlorophenyl)methylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione

Systemtic Name: 8-[(3,4-dichlorophenyl)methylamino]-3,7-dimethyl-1-(5-oxidanylhexyl)purine-2,6-dione Openeye Name: 8-[(3,4-dichlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-[(3,4-dichlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione IUPAC Name: 8-[(3,4-dichlorophenyl)methylamino]-1-(5-hydroxyhexyl)-3,7-dimethylpurine-2,6-dione Traditional Name: 8-[(3,4-dichlorobenzyl)amino]-1-(5-hydroxyhexyl)-3,7-dimethyl-xanthine Formula: C20H25Cl2N5O3 MolecularWeight: 454.3502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C)O

Isomeric SMILES

CC(CCCCN1C(=O)C2=C(N=C(N2C)NCC3=CC(=C(C=C3)Cl)Cl)N(C1=O)C)O

InChI

InChI=1S/C20H25Cl2N5O3/c1-12(28)6-4-5-9-27-18(29)16-17(26(3)20(27)30)24-19(25(16)2)23-11-13-7-8-14(21)15(22)10-13/h7-8,10,12,28H,4-6,9,11H2,1-3H3,(H,23,24)