7-[(2S)-2-chloranylpropyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione

Systemtic Name: 7-[(2S)-2-chloranylpropyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione Openeye Name: 7-[(2S)-2-chloropropyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-purine-2,6-dione CAS Name: 7-[(2S)-2-chloropropyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione IUPAC Name: 7-[(2S)-2-chloropropyl]-8-(2-hydroxyethylamino)-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[(2S)-2-chloropropyl]-8-(2-hydroxyethylamino)-1,3-dimethyl-xanthine Formula: C12H18ClN5O3 MolecularWeight: 315.75602

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C)Cl

Isomeric SMILES

C[C@@H](CN1C2=C(N=C1NCCO)N(C(=O)N(C2=O)C)C)Cl

InChI

InChI=1S/C12H18ClN5O3/c1-7(13)6-18-8-9(15-11(18)14-4-5-19)16(2)12(21)17(3)10(8)20/h7,19H,4-6H2,1-3H3,(H,14,15)/t7-/m0/s1