1,3-dimethyl-8-(methylamino)-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(methylamino)-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(methylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(methylamino)xanthine Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CN2C3=C(N=C2NC)N(C(=O)N(C3=O)C)C)O

Isomeric SMILES

CC1=CC=C(C=C1)OC[C@H](CN2C3=C(N=C2NC)N(C(=O)N(C3=O)C)C)O

InChI

InChI=1S/C18H23N5O4/c1-11-5-7-13(8-6-11)27-10-12(24)9-23-14-15(20-17(23)19-2)21(3)18(26)22(4)16(14)25/h5-8,12,24H,9-10H2,1-4H3,(H,19,20)/t12-/m0/s1