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

Systemtic Name: 8-(2-dimethylaminoethylamino)-3-methyl-7-[(2R)-2-oxidanylpropyl]purine-2,6-dione Openeye Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxypropyl]-3-methyl-purine-2,6-dione CAS Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxypropyl]-3-methylpurine-2,6-dione IUPAC Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxypropyl]-3-methylpurine-2,6-dione Traditional Name: 8-(2-dimethylaminoethylamino)-7-[(2R)-2-hydroxypropyl]-3-methyl-xanthine Formula: C13H22N6O3 MolecularWeight: 310.35218

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCCN(C)C)N(C(=O)NC2=O)C)O

Isomeric SMILES

C[C@H](CN1C2=C(N=C1NCCN(C)C)N(C(=O)NC2=O)C)O

InChI

InChI=1S/C13H22N6O3/c1-8(20)7-19-9-10(18(4)13(22)16-11(9)21)15-12(19)14-5-6-17(2)3/h8,20H,5-7H2,1-4H3,(H,14,15)(H,16,21,22)/t8-/m1/s1