1,3-dimethyl-8-[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]amino]-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-[[(2S)-3-methyl-1-oxidanyl-butan-2-yl]amino]-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-[[(1S)-1-(hydroxymethyl)-2-methyl-propyl]amino]-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-dimethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-[[(1S)-2-methyl-1-methylol-propyl]amino]xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CO)NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC(C)[C@@H](CO)NC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H25N5O3/c1-12(2)14(11-25)20-18-21-16-15(17(26)23(4)19(27)22(16)3)24(18)10-13-8-6-5-7-9-13/h5-9,12,14,25H,10-11H2,1-4H3,(H,20,21)/t14-/m1/s1