9-[(3R,4S,5R)-4,5-bis(phenylmethoxymethyl)oxolan-3-yl]-6-iodanyl-purin-2-amine

Systemtic Name: 9-[(3R,4S,5R)-4,5-bis(phenylmethoxymethyl)oxolan-3-yl]-6-iodanyl-purin-2-amine Openeye Name: 9-[(3R,4S,5R)-4,5-bis(benzyloxymethyl)tetrahydrofuran-3-yl]-6-iodo-purin-2-amine CAS Name: 9-[(3R,4S,5R)-4,5-bis(phenylmethoxymethyl)-3-oxolanyl]-6-iodo-2-purinamine IUPAC Name: 9-[(3R,4S,5R)-4,5-bis(phenylmethoxymethyl)oxolan-3-yl]-6-iodopurin-2-amine Traditional Name: [9-[(3R,4S,5R)-4,5-bis(benzoxymethyl)tetrahydrofuran-3-yl]-6-iodo-purin-2-yl]amine Formula: C25H26IN5O3 MolecularWeight: 571.41011

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(O1)COCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5=C4N=C(N=C5I)N

Isomeric SMILES

C1[C@@H]([C@H]([C@@H](O1)COCC2=CC=CC=C2)COCC3=CC=CC=C3)N4C=NC5=C4N=C(N=C5I)N

InChI

InChI=1S/C25H26IN5O3/c26-23-22-24(30-25(27)29-23)31(16-28-22)20-14-34-21(15-33-12-18-9-5-2-6-10-18)19(20)13-32-11-17-7-3-1-4-8-17/h1-10,16,19-21H,11-15H2,(H2,27,29,30)/t19-,20+,21+/m1/s1