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

Systemtic Name: 3-methyl-7-[(2S)-3-(2-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl]-3-methyl-xanthine Formula: C16H18N4O4 MolecularWeight: 330.33852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(CN2C=NC3=C2C(=O)NC(=O)N3C)O

Isomeric SMILES

CC1=CC=CC=C1OC[C@H](CN2C=NC3=C2C(=O)NC(=O)N3C)O

InChI

InChI=1S/C16H18N4O4/c1-10-5-3-4-6-12(10)24-8-11(21)7-20-9-17-14-13(20)15(22)18-16(23)19(14)2/h3-6,9,11,21H,7-8H2,1-2H3,(H,18,22,23)/t11-/m0/s1