[(1S,2R,4S,5R)-4-(6-chloranylpurin-9-yl)-6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexan-2-yl]methanol

Systemtic Name: [(1S,2R,4S,5R)-4-(6-chloranylpurin-9-yl)-6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexan-2-yl]methanol Openeye Name: [(1S,2R,4S,5R)-4-(6-chloropurin-9-yl)-6-(p-tolylsulfonyl)-6-azabicyclo[3.1.0]hexan-2-yl]methanol CAS Name: [(1S,2R,4S,5R)-4-(6-chloro-9-purinyl)-6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexan-2-yl]methanol IUPAC Name: [(1S,2R,4S,5R)-4-(6-chloropurin-9-yl)-6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexan-2-yl]methanol Traditional Name: [(1S,2R,4S,5R)-4-(6-chloropurin-9-yl)-6-tosyl-6-azabicyclo[3.1.0]hexan-2-yl]methanol Formula: C18H18ClN5O3S MolecularWeight: 419.88522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C3C2C(CC3CO)N4C=NC5=C4N=CN=C5Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2[C@@H]3[C@H]2[C@H](C[C@H]3CO)N4C=NC5=C4N=CN=C5Cl

InChI

InChI=1S/C18H18ClN5O3S/c1-10-2-4-12(5-3-10)28(26,27)24-15-11(7-25)6-13(16(15)24)23-9-22-14-17(19)20-8-21-18(14)23/h2-5,8-9,11,13,15-16,25H,6-7H2,1H3/t11-,13-,15-,16+,24?/m0/s1