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

Systemtic Name: 8-[[(2R)-butan-2-yl]amino]-1,3-dimethyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-[[(1R)-1-methylpropyl]amino]purine-2,6-dione CAS Name: 8-[[(2R)-butan-2-yl]amino]-7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione IUPAC Name: 8-[[(2R)-butan-2-yl]amino]-7-[(2S)-2-hydroxy-3-phenoxypropyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-1,3-dimethyl-8-[[(1R)-1-methylpropyl]amino]xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CC[C@@H](C)NC1=NC2=C(N1C[C@@H](COC3=CC=CC=C3)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H27N5O4/c1-5-13(2)21-19-22-17-16(18(27)24(4)20(28)23(17)3)25(19)11-14(26)12-29-15-9-7-6-8-10-15/h6-10,13-14,26H,5,11-12H2,1-4H3,(H,21,22)/t13-,14+/m1/s1