3-methyl-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-2-phenyl-ethyl]-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-2-phenylethyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-2-phenyl-ethyl]-3-methyl-8-pyrrolidino-xanthine Formula: C18H21N5O3 MolecularWeight: 355.39104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC(C4=CC=CC=C4)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)C[C@H](C4=CC=CC=C4)O

InChI

InChI=1S/C18H21N5O3/c1-21-15-14(16(25)20-18(21)26)23(17(19-15)22-9-5-6-10-22)11-13(24)12-7-3-2-4-8-12/h2-4,7-8,13,24H,5-6,9-11H2,1H3,(H,20,25,26)/t13-/m1/s1