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

Systemtic Name: 8-(3-azanylpyrrolidin-1-yl)-7-[(2-iodanylphenyl)methyl]-1,3-dimethyl-purine-2,6-dione Openeye Name: 8-(3-aminopyrrolidin-1-yl)-7-[(2-iodophenyl)methyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-(3-amino-1-pyrrolidinyl)-7-[(2-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-(3-aminopyrrolidin-1-yl)-7-[(2-iodophenyl)methyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(3-aminopyrrolidino)-7-(2-iodobenzyl)-1,3-dimethyl-xanthine Formula: C18H21IN6O2 MolecularWeight: 480.30281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(C3)N)CC4=CC=CC=C4I

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCC(C3)N)CC4=CC=CC=C4I

InChI

InChI=1S/C18H21IN6O2/c1-22-15-14(16(26)23(2)18(22)27)25(9-11-5-3-4-6-13(11)19)17(21-15)24-8-7-12(20)10-24/h3-6,12H,7-10,20H2,1-2H3