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

Systemtic Name: 8-[[(2S)-butan-2-yl]amino]-3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-[[(1S)-1-methylpropyl]amino]purine-2,6-dione CAS Name: 8-[[(2S)-butan-2-yl]amino]-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-[[(2S)-butan-2-yl]amino]-7-[(2R)-2-hydroxy-3-phenoxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-3-methyl-8-[[(1S)-1-methylpropyl]amino]xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-4-12(2)20-18-21-16-15(17(26)22-19(27)23(16)3)24(18)10-13(25)11-28-14-8-6-5-7-9-14/h5-9,12-13,25H,4,10-11H2,1-3H3,(H,20,21)(H,22,26,27)/t12-,13+/m0/s1