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

Systemtic Name: 3-methyl-7-[(2R)-2-oxidanyl-3-phenoxy-propyl]-8-[[(2R)-2-oxidanylpropyl]amino]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-phenoxypropyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-phenoxy-propyl]-8-[[(2R)-2-hydroxypropyl]amino]-3-methyl-xanthine Formula: C18H23N5O5 MolecularWeight: 389.40572

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC1=NC2=C(N1CC(COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)O

Isomeric SMILES

C[C@H](CNC1=NC2=C(N1C[C@H](COC3=CC=CC=C3)O)C(=O)NC(=O)N2C)O

InChI

InChI=1S/C18H23N5O5/c1-11(24)8-19-17-20-15-14(16(26)21-18(27)22(15)2)23(17)9-12(25)10-28-13-6-4-3-5-7-13/h3-7,11-12,24-25H,8-10H2,1-2H3,(H,19,20)(H,21,26,27)/t11-,12-/m1/s1