8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 7-[(2R)-2-hydroxypropyl]-8-(3-imidazol-1-ylpropylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2R)-2-hydroxypropyl]-8-[3-(1-imidazolyl)propylamino]-3-methylpurine-2,6-dione IUPAC Name: 7-[(2R)-2-hydroxypropyl]-8-(3-imidazol-1-ylpropylamino)-3-methylpurine-2,6-dione Traditional Name: 7-[(2R)-2-hydroxypropyl]-8-(3-imidazol-1-ylpropylamino)-3-methyl-xanthine Formula: C15H21N7O3 MolecularWeight: 347.37234

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1NCCCN3C=CN=C3)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C15H21N7O3/c1-10(23)8-22-11-12(20(2)15(25)19-13(11)24)18-14(22)17-4-3-6-21-7-5-16-9-21/h5,7,9-10,23H,3-4,6,8H2,1-2H3,(H,17,18)(H,19,24,25)/t10-/m1/s1