7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-8-(3-isopropoxypropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 7-[(2S)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-8-(3-isopropoxypropylamino)-3-methyl-xanthine Formula: C23H33N5O5 MolecularWeight: 459.53862

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)OCC(CN2C3=C(N=C2NCCCOC(C)C)N(C(=O)NC3=O)C)O

Isomeric SMILES

CCC1=CC(=CC=C1)OC[C@H](CN2C3=C(N=C2NCCCOC(C)C)N(C(=O)NC3=O)C)O

InChI

InChI=1S/C23H33N5O5/c1-5-16-8-6-9-18(12-16)33-14-17(29)13-28-19-20(27(4)23(31)26-21(19)30)25-22(28)24-10-7-11-32-15(2)3/h6,8-9,12,15,17,29H,5,7,10-11,13-14H2,1-4H3,(H,24,25)(H,26,30,31)/t17-/m0/s1