(2R)-3-methyl-2-[[2-(phenylmethyl)sulfonyl-9-propan-2-yl-purin-6-yl]amino]butan-1-ol

Systemtic Name: (2R)-3-methyl-2-[[2-(phenylmethyl)sulfonyl-9-propan-2-yl-purin-6-yl]amino]butan-1-ol Openeye Name: (2R)-2-[(2-benzylsulfonyl-9-isopropyl-purin-6-yl)amino]-3-methyl-butan-1-ol CAS Name: (2R)-3-methyl-2-[[2-(phenylmethyl)sulfonyl-9-propan-2-yl-6-purinyl]amino]-1-butanol IUPAC Name: (2R)-2-[(2-benzylsulfonyl-9-propan-2-ylpurin-6-yl)amino]-3-methylbutan-1-ol Traditional Name: (2R)-2-[(2-benzylsulfonyl-9-isopropyl-purin-6-yl)amino]-3-methyl-butan-1-ol Formula: C20H27N5O3S MolecularWeight: 417.52508

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC(=NC2=C1N=CN2C(C)C)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[C@H](CO)NC1=NC(=NC2=C1N=CN2C(C)C)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H27N5O3S/c1-13(2)16(10-26)22-18-17-19(25(12-21-17)14(3)4)24-20(23-18)29(27,28)11-15-8-6-5-7-9-15/h5-9,12-14,16,26H,10-11H2,1-4H3,(H,22,23,24)/t16-/m0/s1