7-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione

Systemtic Name: 7-[(2S)-3-(4-chloranylphenoxy)-2-oxidanyl-propyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Openeye Name: 7-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(isobutylamino)-3-methyl-purine-2,6-dione CAS Name: 7-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione IUPAC Name: 7-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-3-methyl-8-(2-methylpropylamino)purine-2,6-dione Traditional Name: 7-[(2S)-3-(4-chlorophenoxy)-2-hydroxy-propyl]-8-(isobutylamino)-3-methyl-xanthine Formula: C19H24ClN5O4 MolecularWeight: 421.87796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=C(N1CC(COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

Isomeric SMILES

CC(C)CNC1=NC2=C(N1C[C@@H](COC3=CC=C(C=C3)Cl)O)C(=O)NC(=O)N2C

InChI

InChI=1S/C19H24ClN5O4/c1-11(2)8-21-18-22-16-15(17(27)23-19(28)24(16)3)25(18)9-13(26)10-29-14-6-4-12(20)5-7-14/h4-7,11,13,26H,8-10H2,1-3H3,(H,21,22)(H,23,27,28)/t13-/m0/s1