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

Systemtic Name: 3-methyl-7-[(2S)-2-oxidanyl-3-phenoxy-propyl]-1-propyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-1-propyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-1-propyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-phenoxypropyl]-3-methyl-1-propyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-phenoxy-propyl]-3-methyl-1-propyl-8-pyrrolidino-xanthine Formula: C22H29N5O4 MolecularWeight: 427.49676

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2CC(COC3=CC=CC=C3)O)N4CCCC4)N(C1=O)C

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2C[C@@H](COC3=CC=CC=C3)O)N4CCCC4)N(C1=O)C

InChI

InChI=1S/C22H29N5O4/c1-3-11-26-20(29)18-19(24(2)22(26)30)23-21(25-12-7-8-13-25)27(18)14-16(28)15-31-17-9-5-4-6-10-17/h4-6,9-10,16,28H,3,7-8,11-15H2,1-2H3/t16-/m0/s1