7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(pentylamino)purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(3-ethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(pentylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(pentylamino)purine-2,6-dione CAS Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-3-(3-ethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(pentylamino)purine-2,6-dione Traditional Name: 8-(amylamino)-7-[(2R)-3-(3-ethylphenoxy)-2-hydroxy-propyl]-3-methyl-xanthine Formula: C22H31N5O4 MolecularWeight: 429.51264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC1=NC2=C(N1CC(COC3=CC=CC(=C3)CC)O)C(=O)NC(=O)N2C

Isomeric SMILES

CCCCCNC1=NC2=C(N1C[C@H](COC3=CC=CC(=C3)CC)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H31N5O4/c1-4-6-7-11-23-21-24-19-18(20(29)25-22(30)26(19)3)27(21)13-16(28)14-31-17-10-8-9-15(5-2)12-17/h8-10,12,16,28H,4-7,11,13-14H2,1-3H3,(H,23,24)(H,25,29,30)/t16-/m1/s1