(3S)-3-[[6-(phenylmethyl)sulfonyl-9-propan-2-yl-purin-2-yl]amino]pentan-2-ol

Systemtic Name: (3S)-3-[[6-(phenylmethyl)sulfonyl-9-propan-2-yl-purin-2-yl]amino]pentan-2-ol Openeye Name: (3S)-3-[(6-benzylsulfonyl-9-isopropyl-purin-2-yl)amino]pentan-2-ol CAS Name: (3S)-3-[[6-(phenylmethyl)sulfonyl-9-propan-2-yl-2-purinyl]amino]-2-pentanol IUPAC Name: (3S)-3-[(6-benzylsulfonyl-9-propan-2-ylpurin-2-yl)amino]pentan-2-ol Traditional Name: (3S)-3-[(6-benzylsulfonyl-9-isopropyl-purin-2-yl)amino]pentan-2-ol Formula: C20H27N5O3S MolecularWeight: 417.52508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)O)NC1=NC2=C(C(=N1)S(=O)(=O)CC3=CC=CC=C3)N=CN2C(C)C

Isomeric SMILES

CC[C@@H](C(C)O)NC1=NC2=C(C(=N1)S(=O)(=O)CC3=CC=CC=C3)N=CN2C(C)C

InChI

InChI=1S/C20H27N5O3S/c1-5-16(14(4)26)22-20-23-18-17(21-12-25(18)13(2)3)19(24-20)29(27,28)11-15-9-7-6-8-10-15/h6-10,12-14,16,26H,5,11H2,1-4H3,(H,22,23,24)/t14?,16-/m0/s1