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

Systemtic Name: 2-[6-[(3-iodanylphenyl)methylamino]-2-(methylamino)purin-9-yl]-5-methyl-oxolane-3,4-diol Openeye Name: 2-[6-[(3-iodophenyl)methylamino]-2-(methylamino)purin-9-yl]-5-methyl-tetrahydrofuran-3,4-diol CAS Name: 2-[6-[(3-iodophenyl)methylamino]-2-(methylamino)-9-purinyl]-5-methyloxolane-3,4-diol IUPAC Name: 2-[6-[(3-iodophenyl)methylamino]-2-(methylamino)purin-9-yl]-5-methyloxolane-3,4-diol Traditional Name: 2-[6-[(3-iodobenzyl)amino]-2-(methylamino)purin-9-yl]-5-methyl-tetrahydrofuran-3,4-diol Formula: C18H21IN6O3 MolecularWeight: 496.30221

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)NC)O)O

Isomeric SMILES

CC1C(C(C(O1)N2C=NC3=C2N=C(N=C3NCC4=CC(=CC=C4)I)NC)O)O

InChI

InChI=1S/C18H21IN6O3/c1-9-13(26)14(27)17(28-9)25-8-22-12-15(23-18(20-2)24-16(12)25)21-7-10-4-3-5-11(19)6-10/h3-6,8-9,13-14,17,26-27H,7H2,1-2H3,(H2,20,21,23,24)