3-methyl-8-(2-methylpropylamino)-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione

Systemtic Name: 3-methyl-8-(2-methylpropylamino)-7-[(2S)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 7-[(2S)-2-hydroxypropyl]-8-(isobutylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 7-[(2S)-2-hydroxypropyl]-8-(isobutylamino)-3-methyl-xanthine Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC(C)O)C(=O)NC(=O)N2C

Isomeric SMILES

C[C@@H](CN1C2=C(N=C1NCC(C)C)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C13H21N5O3/c1-7(2)5-14-12-15-10-9(18(12)6-8(3)19)11(20)16-13(21)17(10)4/h7-8,19H,5-6H2,1-4H3,(H,14,15)(H,16,20,21)/t8-/m0/s1