2-(hydroxymethyl)-5-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-3-methyl-oxolane-3,4-diol

Systemtic Name: 2-(hydroxymethyl)-5-[6-[(3-iodanylphenyl)methylamino]purin-9-yl]-3-methyl-oxolane-3,4-diol Openeye Name: 2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-3-methyl-tetrahydrofuran-3,4-diol CAS Name: 2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]-9-purinyl]-3-methyloxolane-3,4-diol IUPAC Name: 2-(hydroxymethyl)-5-[6-[(3-iodophenyl)methylamino]purin-9-yl]-3-methyloxolane-3,4-diol Traditional Name: 5-[6-[(3-iodobenzyl)amino]purin-9-yl]-3-methyl-2-methylol-tetrahydrofuran-3,4-diol Formula: C18H20IN5O4 MolecularWeight: 497.28697

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(OC(C1O)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)CO)O

Isomeric SMILES

CC1(C(OC(C1O)N2C=NC3=C2N=CN=C3NCC4=CC(=CC=C4)I)CO)O

InChI

InChI=1S/C18H20IN5O4/c1-18(27)12(7-25)28-17(14(18)26)24-9-23-13-15(21-8-22-16(13)24)20-6-10-3-2-4-11(19)5-10/h2-5,8-9,12,14,17,25-27H,6-7H2,1H3,(H,20,21,22)