7-[(2-iodanylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-methyl-8-piperazin-1-yl-2,4-dihydropurine

Systemtic Name: 7-[(2-iodanylphenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-methyl-8-piperazin-1-yl-2,4-dihydropurine Openeye Name: 7-[(2-iodophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-methyl-8-piperazin-1-yl-2,4-dihydropurine CAS Name: 7-[(2-iodophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-methyl-8-(1-piperazinyl)-2,4-dihydropurine IUPAC Name: 7-[(2-iodophenyl)methyl]-1-[(3-methoxyphenyl)methyl]-3-methyl-8-piperazin-1-yl-2,4-dihydropurine Traditional Name: 7-(2-iodobenzyl)-1-m-anisyl-3-methyl-8-piperazino-2,4-dihydropurine Formula: C25H31IN6O MolecularWeight: 558.45771

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CN(C=C2C1N=C(N2CC3=CC=CC=C3I)N4CCNCC4)CC5=CC(=CC=C5)OC

Isomeric SMILES

CN1CN(C=C2C1N=C(N2CC3=CC=CC=C3I)N4CCNCC4)CC5=CC(=CC=C5)OC

InChI

InChI=1S/C25H31IN6O/c1-29-18-30(15-19-6-5-8-21(14-19)33-2)17-23-24(29)28-25(31-12-10-27-11-13-31)32(23)16-20-7-3-4-9-22(20)26/h3-9,14,17,24,27H,10-13,15-16,18H2,1-2H3