8-(3-azanylpiperidin-1-yl)-7-[(2-iodanylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 8-(3-azanylpiperidin-1-yl)-7-[(2-iodanylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3-amino-1-piperidyl)-7-[(2-iodophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-amino-1-piperidinyl)-7-[(2-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3-aminopiperidin-1-yl)-7-[(2-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopiperidino)-7-(2-iodobenzyl)-1,3-dimethyl-xanthine Formula: C19H23IN6O2 MolecularWeight: 494.32939

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC(C3)N)CC4=CC=CC=C4I

InChI

InChI=1S/C19H23IN6O2/c1-23-16-15(17(27)24(2)19(23)28)26(10-12-6-3-4-8-14(12)20)18(22-16)25-9-5-7-13(21)11-25/h3-4,6,8,13H,5,7,9-11,21H2,1-2H3