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

Systemtic Name: 1,3-dimethyl-7-[(2S)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-(propylamino)purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxy-3-(4-methylphenoxy)propyl]-1,3-dimethyl-8-(propylamino)xanthine Formula: C20H27N5O4 MolecularWeight: 401.45948

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(N1CC(COC3=CC=C(C=C3)C)O)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCNC1=NC2=C(N1C[C@@H](COC3=CC=C(C=C3)C)O)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C20H27N5O4/c1-5-10-21-19-22-17-16(18(27)24(4)20(28)23(17)3)25(19)11-14(26)12-29-15-8-6-13(2)7-9-15/h6-9,14,26H,5,10-12H2,1-4H3,(H,21,22)/t14-/m0/s1