7-[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(propylamino)purine-2,6-dione

Systemtic Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(propylamino)purine-2,6-dione Openeye Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-3-methyl-8-(propylamino)purine-2,6-dione CAS Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-3-methyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-[(2R)-3-(3,4-dimethylphenoxy)-2-hydroxy-propyl]-3-methyl-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)C)O)C(=O)NC(=O)N2C

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O4/c1-5-8-21-19-22-17-16(18(27)23-20(28)24(17)4)25(19)10-14(26)11-29-15-7-6-12(2)13(3)9-15/h6-7,9,14,26H,5,8,10-11H2,1-4H3,(H,21,22)(H,23,27,28)/t14-/m1/s1