3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-xanthine Formula: C12H18N4O4 MolecularWeight: 282.29572

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C=NC2=C1C(=O)NC(=O)N2C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C=NC2=C1C(=O)NC(=O)N2C)O

InChI

InChI=1S/C12H18N4O4/c1-7(2)20-5-8(17)4-16-6-13-10-9(16)11(18)14-12(19)15(10)3/h6-8,17H,4-5H2,1-3H3,(H,14,18,19)/t8-/m0/s1