1,3-dimethyl-7-(2-methylpropyl)-8-[[(2S)-2-oxidanylpropyl]amino]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(2-methylpropyl)-8-[[(2S)-2-oxidanylpropyl]amino]purine-2,6-dione Openeye Name: 8-[[(2S)-2-hydroxypropyl]amino]-7-isobutyl-1,3-dimethyl-purine-2,6-dione CAS Name: 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione IUPAC Name: 8-[[(2S)-2-hydroxypropyl]amino]-1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione Traditional Name: 8-[[(2S)-2-hydroxypropyl]amino]-7-isobutyl-1,3-dimethyl-xanthine Formula: C14H23N5O3 MolecularWeight: 309.36412

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C2=C(N=C1NCC(C)O)N(C(=O)N(C2=O)C)C

Isomeric SMILES

C[C@@H](CNC1=NC2=C(N1CC(C)C)C(=O)N(C(=O)N2C)C)O

InChI

InChI=1S/C14H23N5O3/c1-8(2)7-19-10-11(16-13(19)15-6-9(3)20)17(4)14(22)18(5)12(10)21/h8-9,20H,6-7H2,1-5H3,(H,15,16)/t9-/m0/s1