[4-[[2-iodanyl-9-(oxan-2-yl)purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone

Systemtic Name: [4-[[2-iodanyl-9-(oxan-2-yl)purin-6-yl]amino]phenyl]-piperidin-1-yl-methanone Openeye Name: [4-[(2-iodo-9-tetrahydropyran-2-yl-purin-6-yl)amino]phenyl]-(1-piperidyl)methanone CAS Name: [4-[[2-iodo-9-(2-oxanyl)-6-purinyl]amino]phenyl]-(1-piperidinyl)methanone IUPAC Name: [4-[[2-iodo-9-(oxan-2-yl)purin-6-yl]amino]phenyl]-piperidin-1-ylmethanone Traditional Name: [4-[(2-iodo-9-tetrahydropyran-2-yl-purin-6-yl)amino]phenyl]-piperidino-methanone Formula: C22H25IN6O2 MolecularWeight: 532.37737

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3N=CN4C5CCCCO5)I

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC4=C3N=CN4C5CCCCO5)I

InChI

InChI=1S/C22H25IN6O2/c23-22-26-19(18-20(27-22)29(14-24-18)17-6-2-5-13-31-17)25-16-9-7-15(8-10-16)21(30)28-11-3-1-4-12-28/h7-10,14,17H,1-6,11-13H2,(H,25,26,27)