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

Systemtic Name: 1-(2-ethoxyethyl)-7-[(2-iodanylphenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione Openeye Name: 1-(2-ethoxyethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-yl-purine-2,6-dione CAS Name: 1-(2-ethoxyethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-(1-piperazinyl)purine-2,6-dione IUPAC Name: 1-(2-ethoxyethyl)-7-[(2-iodophenyl)methyl]-3-methyl-8-piperazin-1-ylpurine-2,6-dione Traditional Name: 1-(2-ethoxyethyl)-7-(2-iodobenzyl)-3-methyl-8-piperazino-xanthine Formula: C21H27IN6O3 MolecularWeight: 538.38195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3I)N4CCNCC4)N(C1=O)C

Isomeric SMILES

CCOCCN1C(=O)C2=C(N=C(N2CC3=CC=CC=C3I)N4CCNCC4)N(C1=O)C

InChI

InChI=1S/C21H27IN6O3/c1-3-31-13-12-27-19(29)17-18(25(2)21(27)30)24-20(26-10-8-23-9-11-26)28(17)14-15-6-4-5-7-16(15)22/h4-7,23H,3,8-14H2,1-2H3