5-(6-aminopurin-9-yl)-2-[(4-tert-butylphenyl)methoxymethyl]oxolan-3-ol

Systemtic Name: 5-(6-aminopurin-9-yl)-2-[(4-tert-butylphenyl)methoxymethyl]oxolan-3-ol Openeye Name: 5-(6-aminopurin-9-yl)-2-[(4-tert-butylphenyl)methoxymethyl]tetrahydrofuran-3-ol CAS Name: 5-(6-aminopurin-9-yl)-2-[(4-tert-butylphenyl)methoxymethyl]-3-oxolanol IUPAC Name: 5-(6-aminopurin-9-yl)-2-[(4-tert-butylphenyl)methoxymethyl]oxolan-3-ol Traditional Name: 5-adenin-9-yl-2-[(4-tert-butylbenzyl)oxymethyl]tetrahydrofuran-3-ol Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COCC2C(CC(O2)N3C=NC4=C3N=CN=C4N)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COCC2C(CC(O2)N3C=NC4=C3N=CN=C4N)O

InChI

InChI=1S/C21H27N5O3/c1-21(2,3)14-6-4-13(5-7-14)9-28-10-16-15(27)8-17(29-16)26-12-25-18-19(22)23-11-24-20(18)26/h4-7,11-12,15-17,27H,8-10H2,1-3H3,(H2,22,23,24)