7-[(2S)-butan-2-yl]-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(2S)-butan-2-yl]-3-methyl-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-3-methyl-7-[(1S)-1-methylpropyl]purine-2,6-dione CAS Name: 7-[(2S)-butan-2-yl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione IUPAC Name: 7-[(2S)-butan-2-yl]-8-(3-hydroxypropylamino)-3-methylpurine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-3-methyl-7-[(1S)-1-methylpropyl]xanthine Formula: C13H21N5O3 MolecularWeight: 295.33754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

Isomeric SMILES

CC[C@H](C)N1C2=C(N=C1NCCCO)N(C(=O)NC2=O)C

InChI

InChI=1S/C13H21N5O3/c1-4-8(2)18-9-10(15-12(18)14-6-5-7-19)17(3)13(21)16-11(9)20/h8,19H,4-7H2,1-3H3,(H,14,15)(H,16,20,21)/t8-/m0/s1