6-chloranyl-9-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]purine

Systemtic Name: 6-chloranyl-9-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]purine Openeye Name: 9-[(1S,4R)-4-(benzyloxymethyl)cyclobut-2-en-1-yl]-6-chloro-purine CAS Name: 6-chloro-9-[(1S,4R)-4-(phenylmethoxymethyl)-1-cyclobut-2-enyl]purine IUPAC Name: 6-chloro-9-[(1S,4R)-4-(phenylmethoxymethyl)cyclobut-2-en-1-yl]purine Traditional Name: 9-[(1S,4R)-4-(benzoxymethyl)cyclobut-2-en-1-yl]-6-chloro-purine Formula: C17H15ClN4O MolecularWeight: 326.7802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC2C=CC2N3C=NC4=C3N=CN=C4Cl

Isomeric SMILES

C1=CC=C(C=C1)COC[C@@H]2C=C[C@@H]2N3C=NC4=C3N=CN=C4Cl

InChI

InChI=1S/C17H15ClN4O/c18-16-15-17(20-10-19-16)22(11-21-15)14-7-6-13(14)9-23-8-12-4-2-1-3-5-12/h1-7,10-11,13-14H,8-9H2/t13-,14-/m0/s1