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

Systemtic Name: 3-methyl-7-[(2R)-3-(4-methylphenoxy)-2-oxidanyl-propyl]-8-(propylamino)purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(propylamino)purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(propylamino)purine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(propylamino)purine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxy-3-(4-methylphenoxy)propyl]-3-methyl-8-(propylamino)xanthine Formula: C19H25N5O4 MolecularWeight: 387.4329

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O4/c1-4-9-20-18-21-16-15(17(26)22-19(27)23(16)3)24(18)10-13(25)11-28-14-7-5-12(2)6-8-14/h5-8,13,25H,4,9-11H2,1-3H3,(H,20,21)(H,22,26,27)/t13-/m1/s1