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

Systemtic Name: (3S)-3-[[6-(phenylmethylsulfanyl)-9-propan-2-yl-purin-2-yl]amino]pentan-2-ol Openeye Name: (3S)-3-[(6-benzylsulfanyl-9-isopropyl-purin-2-yl)amino]pentan-2-ol CAS Name: (3S)-3-[[6-(phenylmethylthio)-9-propan-2-yl-2-purinyl]amino]-2-pentanol IUPAC Name: (3S)-3-[(6-benzylsulfanyl-9-propan-2-ylpurin-2-yl)amino]pentan-2-ol Traditional Name: (3S)-3-[[6-(benzylthio)-9-isopropyl-purin-2-yl]amino]pentan-2-ol Formula: C20H27N5OS MolecularWeight: 385.52628

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C)O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C(C)C

Isomeric SMILES

CC[C@@H](C(C)O)NC1=NC2=C(C(=N1)SCC3=CC=CC=C3)N=CN2C(C)C

InChI

InChI=1S/C20H27N5OS/c1-5-16(14(4)26)22-20-23-18-17(21-12-25(18)13(2)3)19(24-20)27-11-15-9-7-6-8-10-15/h6-10,12-14,16,26H,5,11H2,1-4H3,(H,22,23,24)/t14?,16-/m0/s1