1-[5-iodanyl-6-(phenethylamino)pyrimidin-4-yl]ethyl ethanoate

Systemtic Name: 1-[5-iodanyl-6-(phenethylamino)pyrimidin-4-yl]ethyl ethanoate Openeye Name: 1-[5-iodo-6-(phenethylamino)pyrimidin-4-yl]ethyl acetate CAS Name: acetic acid 1-[5-iodo-6-(phenethylamino)-4-pyrimidinyl]ethyl ester IUPAC Name: 1-[5-iodo-6-(phenethylamino)pyrimidin-4-yl]ethyl acetate Traditional Name: acetic acid 1-[5-iodo-6-(phenethylamino)pyrimidin-4-yl]ethyl ester Formula: C16H18IN3O2 MolecularWeight: 411.23749

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C(=NC=N1)NCCC2=CC=CC=C2)I)OC(=O)C

Isomeric SMILES

CC(C1=C(C(=NC=N1)NCCC2=CC=CC=C2)I)OC(=O)C

InChI

InChI=1S/C16H18IN3O2/c1-11(22-12(2)21)15-14(17)16(20-10-19-15)18-9-8-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3,(H,18,19,20)