methyl 2-[3-[(6-azanyl-2-iodanyl-purin-9-yl)methyl]phenyl]ethanoate

Systemtic Name: methyl 2-[3-[(6-azanyl-2-iodanyl-purin-9-yl)methyl]phenyl]ethanoate Openeye Name: methyl 2-[3-[(6-amino-2-iodo-purin-9-yl)methyl]phenyl]acetate CAS Name: 2-[3-[(6-amino-2-iodo-9-purinyl)methyl]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(6-amino-2-iodopurin-9-yl)methyl]phenyl]acetate Traditional Name: 2-[3-[(6-amino-2-iodo-purin-9-yl)methyl]phenyl]acetic acid methyl ester Formula: C15H14IN5O2 MolecularWeight: 423.20843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)I

Isomeric SMILES

COC(=O)CC1=CC(=CC=C1)CN2C=NC3=C2N=C(N=C3N)I

InChI

InChI=1S/C15H14IN5O2/c1-23-11(22)6-9-3-2-4-10(5-9)7-21-8-18-12-13(17)19-15(16)20-14(12)21/h2-5,8H,6-7H2,1H3,(H2,17,19,20)