3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-3-propan-2-yloxy-propyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-propan-2-yloxypropyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-isopropoxy-propyl]-3-methyl-8-pyrrolidino-xanthine Formula: C16H25N5O4 MolecularWeight: 351.4008

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)O

Isomeric SMILES

CC(C)OC[C@H](CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C16H25N5O4/c1-10(2)25-9-11(22)8-21-12-13(19(3)16(24)18-14(12)23)17-15(21)20-6-4-5-7-20/h10-11,22H,4-9H2,1-3H3,(H,18,23,24)/t11-/m0/s1